data_[Mg2In4Hg6]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9938]
_cell_length_b [3.5879]
_cell_length_c [10.6204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgIn2Hg3]
_chemical_formula_sum '[Mg2 In4 Hg6]'
_cell_volume [303.2136]
_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
[
  Mg  Mg0  2  0.1608  0.2500  0.7641  1.0
  In  In1  2  0.1224  0.2500  0.0924  1.0
  In  In2  2  0.3419  0.7500  0.5546  1.0
  Hg  Hg3  2  0.0741  0.2500  0.3867  1.0
  Hg  Hg4  2  0.3661  0.7500  0.9279  1.0
  Hg  Hg5  2  0.3966  0.7500  0.2602  1.0
]