data_[Gd1Mg1Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.5179]
_cell_length_b [6.5179]
_cell_length_c [4.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [GdMgCd6]
_chemical_formula_sum '[Gd1 Mg1 Cd6]'
_cell_volume [182.2848]
_cell_formula_units_Z [1]
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
[
  Gd  Gd0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  1  0.6667  0.3333  0.5000  1
  Cd  Cd2  3  0.0022  0.5011  0.0000  1
  Cd  Cd3  3  0.1710  0.3421  0.5000  1
]