data_[La20Hg4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1307]
_cell_length_b [7.6424]
_cell_length_c [12.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5HgRh]
_chemical_formula_sum '[La20 Hg4 Rh4]'
_cell_volume [897.9352]
_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  8  0.1154  0.3269  0.0509  1.0
  La  La1  8  0.2425  0.1941  0.6361  1.0
  La  La2  4  0.0000  0.0246  0.7500  1.0
  Hg  Hg3  4  0.0000  0.4414  0.7500  1.0
  Rh  Rh4  4  0.0000  0.0000  0.0000  1.0
]