data_image0
_chemical_formula_structural       CsNbO3
_chemical_formula_sum              "Cs1 Nb1 O3"
_cell_length_a       4.21998
_cell_length_b       4.21998
_cell_length_c       4.21998
_cell_angle_alpha    90.0
_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
  Cs  Cs1       1.0  0.00789  0.0  0.0  1.0000
  Nb  Nb1       1.0  0.52467  0.5  0.5  1.0000
  O   O1        1.0  0.49677999999999994  0.0  0.5  1.0000
  O   O2        1.0  0.49677999999999994  0.5  0.0  1.0000
  O   O3        1.0  0.9788399999999999  0.5  0.5  1.0000