data_[In2Ga4Hg2]
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 [P2_1/m]
_cell_length_a [5.6184]
_cell_length_b [6.6280]
_cell_length_c [5.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InGa2Hg]
_chemical_formula_sum '[In2 Ga4 Hg2]'
_cell_volume [191.5684]
_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  2  0.4607  0.7500  0.8939  1.0
  Ga  Ga1  4  0.2494  0.0567  0.5026  1.0
  Hg  Hg2  2  0.0525  0.7500  0.1138  1.0
]