data_[Cs4P4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9318]
_cell_length_b [4.4186]
_cell_length_c [14.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsPO3]
_chemical_formula_sum '[Cs4 P4 O12]'
_cell_volume [393.2881]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Cs0  4  0.3150  0.1263  0.0915  1.0
  P  P1  4  0.1321  0.5083  0.8177  1.0
  O  O2  4  0.0579  0.7432  0.2230  1.0
  O  O3  4  0.1257  0.6428  0.9144  1.0
  O  O4  4  0.3337  0.1242  0.3201  1.0
]