data_[Er12Mg2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1939]
_cell_length_b [5.2969]
_cell_length_c [11.5864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er6MgCd3]
_chemical_formula_sum '[Er12 Mg2 Cd6]'
_cell_volume [534.6455]
_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  2  0.0934  0.7500  0.8772  1
  Er  Er1  2  0.1344  0.7500  0.1663  1
  Er  Er2  2  0.1588  0.2500  0.7025  1
  Er  Er3  2  0.2549  0.7500  0.4924  1
  Er  Er4  2  0.3426  0.2500  0.3181  1
  Er  Er5  2  0.4611  0.7500  0.0883  1
  Mg  Mg6  2  0.0420  0.2500  0.4098  1
  Cd  Cd7  2  0.2261  0.2500  0.0232  1
  Cd  Cd8  2  0.3730  0.7500  0.7797  1
  Cd  Cd9  2  0.4584  0.2500  0.6181  1
]