data_[Li4Er10Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3138]
_cell_length_b [8.7052]
_cell_length_c [7.2589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Er5Hg12]
_chemical_formula_sum '[Li4 Er10 Hg24]'
_cell_volume [904.2357]
_cell_formula_units_Z [2]
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  0.2552  0.0000  1.0
  Er  Er1  4  0.1908  0.5000  0.0533  1.0
  Er  Er2  4  0.2459  0.5000  0.5685  1.0
  Er  Er3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1169  0.2745  0.3466  1.0
  Hg  Hg5  8  0.1589  0.2080  0.7605  1.0
  Hg  Hg6  4  0.0325  0.5000  0.7620  1.0
  Hg  Hg7  4  0.1017  0.0000  0.0890  1.0
]