data_[Er4Hg12Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4216]
_cell_length_b [4.7344]
_cell_length_c [8.3098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Hg6Rh]
_chemical_formula_sum '[Er4 Hg12 Rh2]'
_cell_volume [400.9068]
_cell_formula_units_Z [2]
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
[
  Er  Er0  4  0.2492  0.0000  0.1907  1
  Hg  Hg1  4  0.0593  0.5000  0.3373  1
  Hg  Hg2  4  0.0781  0.0000  0.8619  1
  Hg  Hg3  4  0.1535  0.0000  0.5433  1
  Rh  Rh4  2  0.0000  0.5000  0.0000  1
]