data_[Li4Mg4In8Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.1109]
_cell_length_b [16.6777]
_cell_length_c [13.0781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiMgIn2Hg5]
_chemical_formula_sum '[Li4 Mg4 In8 Hg20]'
_cell_volume [896.6295]
_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
[
  Li  Li0  4  0.0000  0.4313  0.4190  1.0
  Mg  Mg1  4  0.0000  0.2244  0.0226  1.0
  In  In2  4  0.0000  0.0918  0.3427  1.0
  In  In3  4  0.0000  0.1375  0.7091  1.0
  Hg  Hg4  4  0.0000  0.0494  0.0534  1.0
  Hg  Hg5  4  0.0000  0.2721  0.3545  1.0
  Hg  Hg6  4  0.0000  0.3192  0.6785  1.0
  Hg  Hg7  4  0.0000  0.3947  0.0197  1.0
  Hg  Hg8  4  0.0000  0.4970  0.2245  1.0
]