data_[Ba4Cd2Sb2Pt12]
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
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9663]
_cell_length_b [5.6965]
_cell_length_c [9.0961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CdSbPt6]
_chemical_formula_sum '[Ba4 Cd2 Sb2 Pt12]'
_cell_volume [495.8769]
_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  0.2407  0.5000  0.6928  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt3  8  0.0257  0.2395  0.7883  1.0
  Pt  Pt4  4  0.2480  0.0000  0.8998  1.0
]