data_[Ba6As8Pt8]
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 [Immm]
_cell_length_a [4.5585]
_cell_length_b [4.7857]
_cell_length_c [24.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3(AsPt)4]
_chemical_formula_sum '[Ba6 As8 Pt8]'
_cell_volume [540.2371]
_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  0.0000  0.0000  0.1475  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  As  As2  4  0.0000  0.0000  0.4018  1.0
  As  As3  4  0.0000  0.5000  0.2519  1.0
  Pt  Pt4  4  0.0000  0.0000  0.2937  1.0
  Pt  Pt5  4  0.0000  0.5000  0.0555  1.0
]