data_[La4Er12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [16.2353]
_cell_length_b [5.3478]
_cell_length_c [8.9077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaEr3Hg2]
_chemical_formula_sum '[La4 Er12 Hg8]'
_cell_volume [698.3634]
_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
[
  La  La0  4  0.1317  0.0000  0.1867  1.0
  Er  Er1  4  0.0651  0.0000  0.7236  1.0
  Er  Er2  4  0.1179  0.5000  0.5252  1.0
  Er  Er3  4  0.1945  0.5000  0.9985  1.0
  Hg  Hg4  4  0.0057  0.5000  0.1678  1.0
  Hg  Hg5  4  0.2244  0.0000  0.6103  1.0
]