data_[In2Hg3Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4955]
_cell_length_b [4.4475]
_cell_length_c [14.3666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [In2Hg3Br2]
_chemical_formula_sum '[In2 Hg3 Br2]'
_cell_volume [285.4865]
_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
[
  In  In0  2  0.0120  0.0000  0.2121  1
  Hg  Hg1  2  0.2366  0.0000  0.4207  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.4719  0.5000  0.7864  1
]