data_[La4Ho12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2767]
_cell_length_b [5.3642]
_cell_length_c [8.9368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHo3Hg2]
_chemical_formula_sum '[La4 Ho12 Hg8]'
_cell_volume [704.6472]
_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  0.1868  1.0
  Ho  Ho1  4  0.0648  0.0000  0.7236  1.0
  Ho  Ho2  4  0.1182  0.5000  0.5255  1.0
  Ho  Ho3  4  0.1945  0.5000  0.9999  1.0
  Hg  Hg4  4  0.0061  0.5000  0.1676  1.0
  Hg  Hg5  4  0.2244  0.0000  0.6089  1.0
]