data_[Er9Zn3Cu24]
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 [5.1295]
_cell_length_b [5.1295]
_cell_length_c [25.2175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3ZnCu8]
_chemical_formula_sum '[Er9 Zn3 Cu24]'
_cell_volume [574.6222]
_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  0.0087  1.0
  Er  Er1  3  0.0000  0.0000  0.4933  1.0
  Er  Er2  3  0.0000  0.0000  0.6205  1.0
  Zn  Zn3  3  0.0000  0.0000  0.1308  1.0
  Cu  Cu4  9  0.1670  0.3341  0.8945  1.0
  Cu  Cu5  9  0.1696  0.3393  0.3962  1.0
  Cu  Cu6  3  0.0000  0.0000  0.3131  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8114  1.0
]