data_[Er6Cu2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9887]
_cell_length_b [4.9887]
_cell_length_c [12.2993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Er3CuAu2]
_chemical_formula_sum '[Er6 Cu2 Au4]'
_cell_volume [265.0891]
_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  2  0.0000  0.0000  0.2536  1
  Er  Er1  2  0.3333  0.6667  0.4183  1
  Er  Er2  2  0.3333  0.6667  0.9145  1
  Cu  Cu3  2  0.3333  0.6667  0.6674  1
  Au  Au4  2  0.3333  0.6667  0.1750  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
  Au  Au6  1  0.0000  0.0000  0.5000  1
]