data_[Er16Cd4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7076]
_cell_length_b [5.2008]
_cell_length_c [6.8145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Cd2Cu]
_chemical_formula_sum '[Er16 Cd4 Cu2]'
_cell_volume [600.2684]
_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  0.0211  0.0000  0.7792  1.0
  Er  Er1  4  0.0918  0.5000  0.4432  1.0
  Er  Er2  4  0.1553  0.5000  0.9628  1.0
  Er  Er3  4  0.1999  0.0000  0.2977  1.0
  Cd  Cd4  4  0.1856  0.0000  0.7210  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]