data_[Ba1Sb2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2449]
_cell_length_b [4.3485]
_cell_length_c [5.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaSb2Pt]
_chemical_formula_sum '[Ba1 Sb2 Pt1]'
_cell_volume [120.6906]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Sb  Sb1  2  0.2876  0.0000  0.1612  1.0
  Pt  Pt2  1  0.5000  0.5000  0.0000  1.0
]