data_[Mg8In4Sn4Hg20]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3694]
_cell_length_b [20.8818]
_cell_length_c [12.8628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg2InSnHg5]
_chemical_formula_sum '[Mg8 In4 Sn4 Hg20]'
_cell_volume [905.0219]
_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  4  0.0000  0.0920  0.7362  1.0
  Mg  Mg1  4  0.0000  0.1504  0.3481  1.0
  In  In2  4  0.0000  0.2318  0.9636  1.0
  Sn  Sn3  4  0.0000  0.4027  0.4430  1.0
  Hg  Hg4  4  0.0000  0.0098  0.0853  1.0
  Hg  Hg5  4  0.0000  0.2881  0.2405  1.0
  Hg  Hg6  4  0.0000  0.3337  0.6588  1.0
  Hg  Hg7  4  0.0000  0.3775  0.0376  1.0
  Hg  Hg8  4  0.0000  0.4678  0.8109  1.0
]