data_[Mg12In4Ga4Hg4]
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 [C2/m]
_cell_length_a [10.0240]
_cell_length_b [6.6460]
_cell_length_c [7.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3InGaHg]
_chemical_formula_sum '[Mg12 In4 Ga4 Hg4]'
_cell_volume [525.4711]
_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
[
  Mg  Mg0  8  0.1232  0.2487  0.1497  1
  Mg  Mg1  4  0.2464  0.5000  0.4927  1
  In  In2  4  0.0000  0.2425  0.5000  1
  Ga  Ga3  4  0.1240  0.0000  0.8278  1
  Hg  Hg4  4  0.1320  0.5000  0.8362  1
]