data_[In4Ga4Hg4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4660]
_cell_length_b [4.7244]
_cell_length_c [5.6966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InGaHg]
_chemical_formula_sum '[In4 Ga4 Hg4]'
_cell_volume [305.1108]
_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  2  0.0138  0.0000  0.0570  1.0
  In  In1  2  0.1987  0.5000  0.3801  1.0
  Ga  Ga2  2  0.2539  0.5000  0.9378  1.0
  Ga  Ga3  2  0.3700  0.0000  0.0336  1.0
  Hg  Hg4  2  0.1052  0.0000  0.6518  1.0
  Hg  Hg5  2  0.4056  0.0000  0.5543  1.0
]