data_[Cd4In12P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.5986]
_cell_length_b [3.2792]
_cell_length_c [28.8848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd(InP)3]
_chemical_formula_sum '[Cd4 In12 P12]'
_cell_volume [1951.0546]
_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
[
  Cd  Cd0  2  0.5000  0.0000  0.0342  1
  Cd  Cd1  2  0.5000  0.0000  0.6204  1
  In  In2  4  0.3641  0.0000  0.0816  1
  In  In3  4  0.3822  0.0000  0.4827  1
  In  In4  2  0.5000  0.0000  0.2089  1
  In  In5  2  0.5000  0.0000  0.9283  1
  P  P6  4  0.3818  0.0000  0.3406  1
  P  P7  4  0.3823  0.0000  0.7898  1
  P  P8  2  0.5000  0.0000  0.3463  1
  P  P9  2  0.5000  0.0000  0.7894  1
]