data_[Hg3Sb2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9440]
_cell_length_b [6.5171]
_cell_length_c [8.8533]
_cell_angle_alpha [80.2656]
_cell_angle_beta [86.1955]
_cell_angle_gamma [71.1018]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3(SbBr)2]
_chemical_formula_sum '[Hg3 Sb2 Br2]'
_cell_volume [265.9774]
_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
[
  Hg  Hg0  2  0.2100  0.2550  0.3263  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.2631  0.3191  0.0178  1.0
  Br  Br3  2  0.1680  0.1911  0.6218  1.0
]