data_[Ba12As8Pt4]
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 [Pnma]
_cell_length_a [12.9648]
_cell_length_b [4.6727]
_cell_length_c [12.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba3As2Pt]
_chemical_formula_sum '[Ba12 As8 Pt4]'
_cell_volume [786.3660]
_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  0.0592  0.2500  0.6229  1
  Ba  Ba1  4  0.1190  0.7500  0.0496  1
  Ba  Ba2  4  0.2121  0.2500  0.3058  1
  As  As3  4  0.0313  0.7500  0.8131  1
  As  As4  4  0.1987  0.7500  0.4841  1
  Pt  Pt5  4  0.1192  0.2500  0.8605  1
]