data_[Er4Cu4Au4]
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 [C2/m]
_cell_length_a [17.2753]
_cell_length_b [3.6271]
_cell_length_c [3.9279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCuAu]
_chemical_formula_sum '[Er4 Cu4 Au4]'
_cell_volume [244.7371]
_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  0.1313  0.0000  0.8116  1
  Cu  Cu1  4  0.2101  0.5000  0.3567  1
  Au  Au2  4  0.0568  0.5000  0.2764  1
]