data_[Er6Zn16Cd6]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4556]
_cell_length_b [9.1898]
_cell_length_c [13.2973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Zn8Cd3]
_chemical_formula_sum '[Er6 Zn16 Cd6]'
_cell_volume [544.4647]
_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  0.2074  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2704  0.3525  1.0
  Zn  Zn3  8  0.0000  0.3667  0.1658  1.0
  Cd  Cd4  4  0.0000  0.2047  0.0000  1.0
  Cd  Cd5  2  0.0000  0.5000  0.5000  1.0
]