data_[Er16Cu2Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3229]
_cell_length_b [5.0113]
_cell_length_c [6.7016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8CuPd2]
_chemical_formula_sum '[Er16 Cu2 Pd4]'
_cell_volume [560.8007]
_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  0.0321  0.0000  0.7809  1.0
  Er  Er1  4  0.0912  0.5000  0.4557  1.0
  Er  Er2  4  0.1662  0.5000  0.9768  1.0
  Er  Er3  4  0.2029  0.0000  0.3244  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.1875  0.0000  0.7286  1.0
]