data_[Cs12As4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.8603]
_cell_length_b [12.3296]
_cell_length_c [6.6397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs3AsP]
_chemical_formula_sum '[Cs12 As4 P4]'
_cell_volume [889.0807]
_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  8  0.1807  0.3742  0.6690  1
  Cs  Cs1  4  0.0000  0.0983  0.8464  1
  As  As2  4  0.0000  0.3407  0.1699  1
  P  P3  4  0.0000  0.1863  0.3605  1
]