data_image0
_chemical_formula_structural       Bi2P2Se6
_chemical_formula_sum              "Bi2 P2 Se6"
_cell_length_a       5.8686388903653945
_cell_length_b       6.566064338292097
_cell_length_c       6.566064338292098
_cell_angle_alpha    120.00000000000001
_cell_angle_beta     90.0
_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
  Bi  Bi1       1.0  0.7499999999999999  0.3333333333333333  0.6666666666666666  1.0000
  Bi  Bi2       1.0  0.25  0.6666666666666666  0.3333333333333333  1.0000
  P   P1        1.0  0.5  3.4290964177733116e-31  0.0  1.0000
  P   P2        1.0  5.263197841336866e-31  0.0  0.0  1.0000
  Se  Se1       1.0  0.24999999999999994  0.1719708875351737  0.828029112464826  1.0000
  Se  Se2       1.0  0.25  0.17197088753517384  0.3439417750703477  1.0000
  Se  Se3       1.0  0.24999999999999994  0.6560582249296524  0.828029112464826  1.0000
  Se  Se4       1.0  0.7499999999999999  0.8280291124648258  0.17197088753517376  1.0000
  Se  Se5       1.0  0.75  0.828029112464826  0.6560582249296522  1.0000
  Se  Se6       1.0  0.7499999999999998  0.34394177507034757  0.17197088753517376  1.0000