data_[Ba2Re4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0885]
_cell_length_b [4.0885]
_cell_length_c [9.6002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [BaRe2Pt]
_chemical_formula_sum '[Ba2 Re4 Pt2]'
_cell_volume [160.4709]
_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  2  0.0000  0.0000  0.0000  1
  Re  Re1  4  0.0000  0.5000  0.2500  1
  Pt  Pt2  2  0.0000  0.0000  0.5000  1
]