data_[In4Ga1Hg2Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4667]
_cell_length_b [4.6354]
_cell_length_c [8.6094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [In4GaHg2Bi]
_chemical_formula_sum '[In4 Ga1 Hg2 Bi1]'
_cell_volume [215.9360]
_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  0.0030  0.0000  0.7528  1.0
  In  In1  2  0.4898  0.5000  0.2321  1.0
  Ga  Ga2  1  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
]