data_[Ba4Zn2Hg2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  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 [8.4597]
_cell_length_b [4.7655]
_cell_length_c [8.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2ZnHgPt]
_chemical_formula_sum '[Ba4 Zn2 Hg2 Pt2]'
_cell_volume [323.2372]
_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  0.0709  0.7500  0.7278  1.0
  Ba  Ba1  2  0.3534  0.2500  0.1525  1.0
  Zn  Zn2  2  0.2840  0.7500  0.4131  1.0
  Hg  Hg3  2  0.3483  0.2500  0.6102  1.0
  Pt  Pt4  2  0.0750  0.7500  0.1077  1.0
]