data_[Er16Fe2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8520]
_cell_length_b [5.0263]
_cell_length_c [6.5583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8FeCu2]
_chemical_formula_sum '[Er16 Fe2 Cu4]'
_cell_volume [529.2443]
_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  0.0315  0.0000  0.7965  1.0
  Er  Er1  4  0.0904  0.5000  0.4343  1.0
  Er  Er2  4  0.1645  0.5000  0.9728  1.0
  Er  Er3  4  0.1983  0.0000  0.3154  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  4  0.1840  0.0000  0.7159  1.0
]