data_[Ba16Sn4Pt4]
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/c]
_cell_length_a [10.5982]
_cell_length_b [15.3851]
_cell_length_c [7.7203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4SnPt]
_chemical_formula_sum '[Ba16 Sn4 Pt4]'
_cell_volume [1053.3587]
_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  8  0.1158  0.8275  0.0819  1.0
  Ba  Ba1  8  0.2132  0.4410  0.7856  1.0
  Sn  Sn2  4  0.0000  0.3652  0.2500  1.0
  Pt  Pt3  4  0.0000  0.0006  0.7500  1.0
]