data_[Hg2Pt4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.5924]
_cell_length_b [2.9782]
_cell_length_c [4.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgPt2Br]
_chemical_formula_sum '[Hg2 Pt4 Br2]'
_cell_volume [184.6615]
_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
[
  Hg  Hg0  2  0.3130  0.0000  0.7298  1
  Pt  Pt1  2  0.2251  0.5000  0.2282  1
  Pt  Pt2  2  0.4046  0.5000  0.2293  1
  Br  Br3  2  0.0572  0.5000  0.3127  1
]