data_[Er4Cd4Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6480]
_cell_length_b [5.0326]
_cell_length_c [8.2825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Cd2Au3]
_chemical_formula_sum '[Er4 Cd4 Au6]'
_cell_volume [315.4983]
_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  0.0908  0.5000  0.8346  1
  Cd  Cd1  4  0.1740  0.0000  0.3948  1
  Au  Au2  4  0.2232  0.0000  0.7605  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]