data_[Mg4In4Sn2Hg14]
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 [C2/m]
_cell_length_a [20.6830]
_cell_length_b [5.4584]
_cell_length_c [5.4938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2In2SnHg7]
_chemical_formula_sum '[Mg4 In4 Sn2 Hg14]'
_cell_volume [599.8292]
_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  4  0.2498  0.5000  0.2800  1.0
  In  In1  4  0.1627  0.5000  0.6791  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0882  0.0000  0.5696  1.0
  Hg  Hg4  4  0.0883  0.5000  0.0951  1.0
  Hg  Hg5  4  0.1771  0.0000  0.1485  1.0
  Hg  Hg6  2  0.0000  0.5000  0.5000  1.0
]