data_[Er12Ni2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7082]
_cell_length_b [7.1370]
_cell_length_c [11.8998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6NiAu2]
_chemical_formula_sum '[Er12 Ni2 Au4]'
_cell_volume [474.2576]
_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  0.1112  0.5225  0.7475  1.0
  Er  Er1  4  0.2286  0.1870  0.5599  1.0
  Er  Er2  4  0.3753  0.6847  0.5608  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.2980  0.6076  0.2485  1.0
]