data_[Ba8Tl1H1Pt2]
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
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5510]
_cell_length_b [9.6045]
_cell_length_c [7.7196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8TlHPt2]
_chemical_formula_sum '[Ba8 Tl1 H1 Pt2]'
_cell_volume [559.4938]
_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  0.2329  0.2215  0.1797  1.0
  Ba  Ba1  2  0.2788  0.0000  0.6755  1.0
  Ba  Ba2  2  0.2890  0.5000  0.6587  1.0
  Tl  Tl3  1  0.0000  0.5000  0.0000  1.0
  H  H4  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt5  2  0.5000  0.2424  0.5000  1.0
]