data_[Er6Zn8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5718]
_cell_length_b [4.1840]
_cell_length_c [26.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3(ZnCu)4]
_chemical_formula_sum '[Er6 Zn8 Cu8]'
_cell_volume [396.3122]
_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  0.0000  0.5000  0.3546  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0000  0.0000  0.2448  1
  Zn  Zn3  4  0.0000  0.5000  0.0946  1
  Cu  Cu4  4  0.0000  0.0000  0.0463  1
  Cu  Cu5  4  0.0000  0.5000  0.1887  1
]