data_image0
_chemical_formula_structural       Ca4C4O12
_chemical_formula_sum              "Ca4 C4 O12"
_cell_length_a       5.900852919073395
_cell_length_b       4.921026
_cell_length_c       7.752353186194241
_cell_angle_alpha    90.0
_cell_angle_beta     105.27316398022317
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ca  Ca1       1.0  0.258632352784834  0.236121491737699  0.495215112350168  1.0000
  Ca  Ca2       1.0  0.741369460374582  0.73612291420529  0.004785668605603259  1.0000
  Ca  Ca3       1.0  0.7413684694824031  0.7638772890043659  0.504785279306297  1.0000
  Ca  Ca4       1.0  0.258631361892656  0.263877898633334  0.995214723050862  1.0000
  C   C1        1.0  0.226045711492727  0.740292776343795  0.188965671051712  1.0000
  C   C2        1.0  0.773953922859034  0.240291353876204  0.311033796525309  1.0000
  C   C3        1.0  0.773954618216265  0.259708036494828  0.811033383654406  1.0000
  C   C4        1.0  0.22604640684995794  0.759707426865861  0.6889652581808089  1.0000
  O   O1        1.0  0.20783968134668507  0.481043993671238  0.44015863556958806  1.0000
  O   O2        1.0  0.792159953005076  0.981043384042271  0.059840832007432294  1.0000
  O   O3        1.0  0.792160648362307  0.518954787070826  0.5598404191365302  1.0000
  O   O4        1.0  0.207840869262162  0.018955396699793896  0.940159559649033  1.0000
  O   O5        1.0  0.3953720617897859  0.1882757782625  0.6509234976871999  1.0000
  O   O6        1.0  0.6046277695852731  0.6882772007300919  0.8490765046699591  1.0000
  O   O7        1.0  0.604628267919206  0.811725034576123  0.349075557018918  1.0000
  O   O8        1.0  0.39537136643255505  0.311723612108532  0.150923910558103  1.0000
  O   O9        1.0  0.154182890276099  0.0336494869159399  0.39921753038622  1.0000
  O   O10       1.0  0.8458167440756621  0.533650909383531  0.10078193719080099  1.0000
  O   O11       1.0  0.845817439432893  0.9663513259226829  0.6007815243198978  1.0000
  O   O12       1.0  0.15418358563333004  0.466349903455092  0.899217117515317  1.0000