data_[Er6Zn6Cd6]
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 [Pmma]
_cell_length_a [13.0552]
_cell_length_b [4.0630]
_cell_length_c [7.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErZnCd]
_chemical_formula_sum '[Er6 Zn6 Cd6]'
_cell_volume [394.0495]
_cell_formula_units_Z [6]
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  0.0428  0.0000  0.7610  1
  Er  Er1  2  0.2500  0.0000  0.1467  1
  Zn  Zn2  4  0.0918  0.5000  0.0528  1
  Zn  Zn3  2  0.2500  0.0000  0.5557  1
  Cd  Cd4  4  0.1164  0.5000  0.4303  1
  Cd  Cd5  2  0.2500  0.5000  0.8050  1
]