data_[Er12Zr4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7442]
_cell_length_b [3.3767]
_cell_length_c [7.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3ZrCd]
_chemical_formula_sum '[Er12 Zr4 Cd4]'
_cell_volume [553.9955]
_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  4  0.0162  0.0000  0.2281  1
  Er  Er1  4  0.1242  0.5000  0.0289  1
  Er  Er2  4  0.1782  0.0000  0.4494  1
  Zr  Zr3  4  0.2419  0.5000  0.8340  1
  Cd  Cd4  4  0.0802  0.5000  0.6020  1
]