data_[Gd6Mg6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2357]
_cell_length_b [5.4405]
_cell_length_c [8.8252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GdMg]
_chemical_formula_sum '[Gd6 Mg6]'
_cell_volume [340.0320]
_cell_formula_units_Z [6]
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  2  0.0329  0.7500  0.6179  1
  Gd  Gd1  2  0.3040  0.2500  0.7356  1
  Gd  Gd2  2  0.4661  0.2500  0.3712  1
  Mg  Mg3  2  0.1200  0.2500  0.0505  1
  Mg  Mg4  2  0.1929  0.7500  0.2810  1
  Mg  Mg5  2  0.3496  0.7500  0.9617  1
]