data_[Er16Cu4Au2]
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 [17.4373]
_cell_length_b [5.0321]
_cell_length_c [6.7499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Cu2Au]
_chemical_formula_sum '[Er16 Cu4 Au2]'
_cell_volume [566.9673]
_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  0.0326  0.0000  0.7797  1.0
  Er  Er1  4  0.0931  0.5000  0.4601  1.0
  Er  Er2  4  0.1721  0.5000  0.9832  1.0
  Er  Er3  4  0.2012  0.0000  0.3327  1.0
  Cu  Cu4  4  0.1829  0.0000  0.7236  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]