data_[Cs4In4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8262]
_cell_length_b [6.0321]
_cell_length_c [7.8759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsInP]
_chemical_formula_sum '[Cs4 In4 P4]'
_cell_volume [417.7876]
_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  0.3504  0.5348  0.2648  1.0
  In  In1  4  0.0322  0.2129  0.4257  1.0
  P  P2  4  0.1775  0.0358  0.1631  1.0
]