data_[Li8Ca8Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5413]
_cell_length_b [4.8269]
_cell_length_c [11.3212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca2Hg]
_chemical_formula_sum '[Li8 Ca8 Hg4]'
_cell_volume [550.6917]
_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  0.0159  0.5000  0.8866  1.0
  Li  Li1  4  0.1536  0.5000  0.5446  1.0
  Ca  Ca2  4  0.0078  0.0000  0.3302  1.0
  Ca  Ca3  4  0.1986  0.0000  0.1203  1.0
  Hg  Hg4  4  0.2270  0.5000  0.3365  1.0
]