data_[Ba12In12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3836]
_cell_length_b [4.4024]
_cell_length_c [17.6668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3In3Pt]
_chemical_formula_sum '[Ba12 In12 Pt4]'
_cell_volume [994.8493]
_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
[
  Ba  Ba0  4  0.0182  0.5000  0.3923  1
  Ba  Ba1  4  0.1183  0.5000  0.9201  1
  Ba  Ba2  4  0.2405  0.5000  0.2458  1
  In  In3  4  0.0264  0.0000  0.2354  1
  In  In4  4  0.1000  0.0000  0.0791  1
  In  In5  4  0.1882  0.0000  0.5402  1
  Pt  Pt6  4  0.1999  0.0000  0.3778  1
]