data_[La16Hg4Rh4]
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 [9.3252]
_cell_length_b [15.2519]
_cell_length_c [7.1600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4HgRh]
_chemical_formula_sum '[La16 Hg4 Rh4]'
_cell_volume [824.4015]
_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  0.1633  0.2161  0.1668  1
  La  La1  8  0.2353  0.9615  0.2343  1
  Hg  Hg2  4  0.0000  0.3802  0.7500  1
  Rh  Rh3  4  0.0000  0.0832  0.2500  1
]