data_[Er9Zn24Cu3]
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 [R3m]
_cell_length_a [5.3483]
_cell_length_b [5.3483]
_cell_length_c [26.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3Zn8Cu]
_chemical_formula_sum '[Er9 Zn24 Cu3]'
_cell_volume [649.9020]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3778  1.0
  Er  Er1  3  0.0000  0.0000  0.5042  1.0
  Er  Er2  3  0.0000  0.0000  0.9916  1.0
  Zn  Zn3  9  0.0004  0.5002  0.4393  1.0
  Zn  Zn4  9  0.1673  0.3345  0.2704  1.0
  Zn  Zn5  3  0.0000  0.0000  0.1885  1.0
  Zn  Zn6  3  0.0000  0.0000  0.6879  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8706  1.0
]