data_[Ba6As8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3710]
_cell_length_b [4.5397]
_cell_length_c [9.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(As2Pt)2]
_chemical_formula_sum '[Ba6 As8 Pt4]'
_cell_volume [480.6424]
_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  0.1126  0.5000  0.6817  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.1328  0.0000  0.4056  1.0
  As  As3  4  0.2201  0.5000  0.0737  1.0
  Pt  Pt4  4  0.1831  0.5000  0.3320  1.0
]