data_[Er6Zn4Cu18]
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 [4.1557]
_cell_length_b [8.7786]
_cell_length_c [12.2930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Zn2Cu9]
_chemical_formula_sum '[Er6 Zn4 Cu18]'
_cell_volume [448.4620]
_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  0.0000  0.2989  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.2013  0.5000  1.0
  Cu  Cu3  8  0.0000  0.2834  0.1277  1.0
  Cu  Cu4  8  0.0000  0.3590  0.3298  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]