data_[Mg1In2Ga1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P1]
_cell_length_a [6.2245]
_cell_length_b [6.2838]
_cell_length_c [7.0084]
_cell_angle_alpha [87.9375]
_cell_angle_beta [79.3984]
_cell_angle_gamma [70.4568]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgIn2GaHg6]
_chemical_formula_sum '[Mg1 In2 Ga1 Hg6]'
_cell_volume [253.8261]
_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
[
  Mg  Mg0  1  0.7169  0.5741  0.6266  1.0
  In  In1  1  0.1305  0.8224  0.8579  1.0
  In  In2  1  0.3199  0.3946  0.4402  1.0
  Ga  Ga3  1  0.9597  0.2285  0.2538  1.0
  Hg  Hg4  1  0.1015  0.3397  0.8552  1.0
  Hg  Hg5  1  0.3401  0.8832  0.4236  1.0
  Hg  Hg6  1  0.5426  0.8981  0.9879  1.0
  Hg  Hg7  1  0.5644  0.3869  0.0240  1.0
  Hg  Hg8  1  0.7533  0.0793  0.6144  1.0
  Hg  Hg9  1  0.9095  0.7316  0.2547  1.0
]