data_[Er4Tm4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.6919]
_cell_length_b [5.6919]
_cell_length_c [21.5751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [ErTmCd3]
_chemical_formula_sum '[Er4 Tm4 Cd12]'
_cell_volume [698.9937]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.0000  1
  Er  Er1  2  0.0000  0.5000  0.7500  1
  Tm  Tm2  4  0.0000  0.5000  0.1681  1
  Cd  Cd3  8  0.0000  0.2531  0.8762  1
  Cd  Cd4  4  0.0000  0.0000  0.2778  1
]