data_[Ba8Tl1Ag2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7871]
_cell_length_b [9.9802]
_cell_length_c [8.0666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8TlAg2Pt]
_chemical_formula_sum '[Ba8 Tl1 Ag2 Pt1]'
_cell_volume [626.7855]
_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  4  0.2256  0.2254  0.1658  1.0
  Ba  Ba1  2  0.2540  0.0000  0.6838  1.0
  Ba  Ba2  2  0.2691  0.5000  0.6593  1.0
  Tl  Tl3  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag4  2  0.5000  0.2432  0.5000  1.0
  Pt  Pt5  1  0.0000  0.0000  0.0000  1.0
]