data_[Ba6Cd4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9223]
_cell_length_b [4.5413]
_cell_length_c [7.1769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(CdP2)2]
_chemical_formula_sum '[Ba6 Cd4 P8]'
_cell_volume [510.4405]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.1420  0.0000  0.5730  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1691  0.5000  0.9701  1.0
  P  P3  4  0.0067  0.5000  0.6624  1.0
  P  P4  4  0.2066  0.0000  0.1859  1.0
]