data_[In4Hg4Pb4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.0932]
_cell_length_b [12.4330]
_cell_length_c [8.8592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [InHgPbBr3]
_chemical_formula_sum '[In4 Hg4 Pb4 Br12]'
_cell_volume [1001.5780]
_cell_formula_units_Z [4]
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
[
  In  In0  4  0.0000  0.4871  0.7500  1.0
  Hg  Hg1  4  0.0000  0.2474  0.2500  1.0
  Pb  Pb2  4  0.0000  0.0231  0.7500  1.0
  Br  Br3  8  0.2341  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.2514  0.7500  1.0
]