data_[In8Hg2Br10]
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 [Pmmn]
_cell_length_a [9.1993]
_cell_length_b [10.5131]
_cell_length_c [7.8046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [In4HgBr5]
_chemical_formula_sum '[In8 Hg2 Br10]'
_cell_volume [754.8061]
_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
[
  In  In0  4  0.0000  0.2391  0.0137  1.0
  In  In1  4  0.2355  0.0000  0.5398  1.0
  Hg  Hg2  2  0.0000  0.0000  0.8176  1.0
  Br  Br3  8  0.2346  0.1902  0.2615  1.0
  Br  Br4  2  0.0000  0.5000  0.1334  1.0
]