data_[Mg4In2Hg4Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5779]
_cell_length_b [9.7793]
_cell_length_c [6.7375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mg2InHg2Bi]
_chemical_formula_sum '[Mg4 In2 Hg4 Bi2]'
_cell_volume [301.6281]
_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  0.0000  0.1284  0.8501  1.0
  Mg  Mg1  2  0.5000  0.3297  0.1621  1.0
  In  In2  2  0.0000  0.4918  0.9189  1.0
  Hg  Hg3  2  0.0000  0.1791  0.3528  1.0
  Hg  Hg4  2  0.5000  0.0226  0.0856  1.0
  Bi  Bi5  2  0.5000  0.3156  0.6761  1.0
]