data_[Ba6Sn2Pt2]
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 [Pm]
_cell_length_a [8.2206]
_cell_length_b [5.8537]
_cell_length_c [8.6199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba3SnPt]
_chemical_formula_sum '[Ba6 Sn2 Pt2]'
_cell_volume [406.9924]
_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  1  0.0230  0.5000  0.6366  1
  Ba  Ba1  1  0.1099  0.0000  0.3287  1
  Ba  Ba2  1  0.3347  0.5000  0.0453  1
  Ba  Ba3  1  0.5674  0.5000  0.4915  1
  Ba  Ba4  1  0.5802  0.0000  0.8302  1
  Ba  Ba5  1  0.8479  0.5000  0.0884  1
  Sn  Sn6  1  0.0291  0.0000  0.8668  1
  Sn  Sn7  1  0.6298  0.0000  0.2587  1
  Pt  Pt8  1  0.1905  0.5000  0.3448  1
  Pt  Pt9  1  0.8107  0.0000  0.5658  1
]