data_[Li1Ca2Mg1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  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 [5.2787]
_cell_length_b [6.5318]
_cell_length_c [7.9761]
_cell_angle_alpha [103.5278]
_cell_angle_beta [105.4331]
_cell_angle_gamma [96.7812]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCa2MgHg6]
_chemical_formula_sum '[Li1 Ca2 Mg1 Hg6]'
_cell_volume [252.9230]
_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  1  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  2  0.4853  0.5787  0.7523  1.0
  Mg  Mg2  1  0.5000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.0270  0.6678  0.1837  1.0
  Hg  Hg4  2  0.0464  0.2343  0.4095  1.0
  Hg  Hg5  2  0.4499  0.1083  0.8552  1.0
]