data_[Ba4Tl2Hg2Pt2]
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
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8953]
_cell_length_b [4.7095]
_cell_length_c [9.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2TlHgPt]
_chemical_formula_sum '[Ba4 Tl2 Hg2 Pt2]'
_cell_volume [342.6524]
_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  2  0.0182  0.7500  0.7154  1.0
  Ba  Ba1  2  0.3458  0.2500  0.1214  1.0
  Tl  Tl2  2  0.3435  0.7500  0.4374  1.0
  Hg  Hg3  2  0.3189  0.2500  0.6964  1.0
  Pt  Pt4  2  0.0799  0.7500  0.0969  1.0
]