data_[Ba16Sn4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.6084]
_cell_length_b [5.8862]
_cell_length_c [7.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Sn2Pt]
_chemical_formula_sum '[Ba16 Sn4 Pt2]'
_cell_volume [969.0448]
_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  0.0289  0.0000  0.8019  1.0
  Ba  Ba1  4  0.0920  0.5000  0.4133  1.0
  Ba  Ba2  4  0.1503  0.5000  0.9502  1.0
  Ba  Ba3  4  0.2134  0.0000  0.2936  1.0
  Sn  Sn4  4  0.1877  0.0000  0.7208  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]