data_[Li4Mg3Hg2]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8283]
_cell_length_b [5.5441]
_cell_length_c [7.5105]
_cell_angle_alpha [75.7362]
_cell_angle_beta [87.6717]
_cell_angle_gamma [64.2401]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Mg3Hg2]
_chemical_formula_sum '[Li4 Mg3 Hg2]'
_cell_volume [174.9749]
_cell_formula_units_Z [1]
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  2  0.1234  0.7505  0.6382  1.0
  Li  Li1  2  0.3220  0.3589  0.9873  1.0
  Mg  Mg2  2  0.4397  0.1154  0.6736  1.0
  Mg  Mg3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.2415  0.5279  0.3063  1.0
]