data_[Er6Mg4Cd8]
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 [C2/m]
_cell_length_a [10.9705]
_cell_length_b [5.0183]
_cell_length_c [9.2684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(MgCd2)2]
_chemical_formula_sum '[Er6 Mg4 Cd8]'
_cell_volume [441.0244]
_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  4  0.1648  0.5000  0.6699  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1161  0.5000  0.2842  1.0
  Cd  Cd3  4  0.0574  0.0000  0.3885  1.0
  Cd  Cd4  4  0.2230  0.5000  0.0590  1.0
]