data_[La4Ho12Hg4]
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 [11.7325]
_cell_length_b [8.3338]
_cell_length_c [7.8416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHo3Hg]
_chemical_formula_sum '[La4 Ho12 Hg4]'
_cell_volume [660.0483]
_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  0.0569  0.0000  0.3025  1
  Ho  Ho1  8  0.1712  0.2929  0.6855  1
  Ho  Ho2  4  0.0789  0.5000  0.2682  1
  Hg  Hg3  4  0.2280  0.5000  0.0439  1
]