data_[Er12Rh4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6915]
_cell_length_b [7.1891]
_cell_length_c [8.1132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er3RhAu]
_chemical_formula_sum '[Er12 Rh4 Au4]'
_cell_volume [491.4556]
_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
[
  Er  Er0  4  0.1522  0.6815  0.5228  1
  Er  Er1  4  0.2275  0.1470  0.4028  1
  Er  Er2  4  0.4557  0.5031  0.2857  1
  Rh  Rh3  4  0.4357  0.6887  0.9794  1
  Au  Au4  4  0.0824  0.0433  0.6947  1
]