data_[Li4Mg8In4Hg20]
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 [3.8619]
_cell_length_b [17.0592]
_cell_length_c [12.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiMg2InHg5]
_chemical_formula_sum '[Li4 Mg8 In4 Hg20]'
_cell_volume [838.4206]
_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  0.3895  0.4811  1.0
  Mg  Mg1  4  0.0000  0.1163  0.3254  1.0
  Mg  Mg2  4  0.0000  0.1306  0.6551  1.0
  In  In3  4  0.0000  0.2625  0.9891  1.0
  Hg  Hg4  4  0.0000  0.0468  0.1151  1.0
  Hg  Hg5  4  0.0000  0.2922  0.3110  1.0
  Hg  Hg6  4  0.0000  0.3071  0.6689  1.0
  Hg  Hg7  4  0.0000  0.4394  0.9906  1.0
  Hg  Hg8  4  0.0000  0.4703  0.2878  1.0
]