data_[Li4Mg16Hg4]
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 [Cmc2_1]
_cell_length_a [4.8694]
_cell_length_b [20.9201]
_cell_length_c [5.5093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiMg4Hg]
_chemical_formula_sum '[Li4 Mg16 Hg4]'
_cell_volume [561.2160]
_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  0.0753  0.7518  1
  Mg  Mg1  4  0.0000  0.1443  0.2269  1
  Mg  Mg2  4  0.0000  0.2604  0.5795  1
  Mg  Mg3  4  0.0000  0.3258  0.0727  1
  Mg  Mg4  4  0.0000  0.4648  0.9437  1
  Hg  Hg5  4  0.0000  0.4014  0.4921  1
]