data_[Er6Sc6Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.0269]
_cell_length_b [9.0269]
_cell_length_c [5.2641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Er3Sc3Cd]
_chemical_formula_sum '[Er6 Sc6 Cd2]'
_cell_volume [371.4776]
_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  6  0.1029  0.4693  0.7500  1.0
  Sc  Sc1  6  0.0571  0.2305  0.2500  1.0
  Cd  Cd2  2  0.3333  0.6667  0.2500  1.0
]