data_[Ba4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3339]
_cell_length_b [4.2129]
_cell_length_c [10.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPt2]
_chemical_formula_sum '[Ba4 Pt8]'
_cell_volume [369.4937]
_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  0.1746  0.5000  0.2161  1
  Pt  Pt1  4  0.0194  0.0000  0.3769  1
  Pt  Pt2  4  0.1586  0.5000  0.5477  1
]