data_[Gd4Mg16Ti4]
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
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0716]
_cell_length_b [10.0716]
_cell_length_c [10.0716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [GdMg4Ti]
_chemical_formula_sum '[Gd4 Mg16 Ti4]'
_cell_volume [1021.6387]
_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
[
  Gd  Gd0  4  0.2500  0.2500  0.7500  1
  Mg  Mg1  16  0.1492  0.1492  0.1492  1
  Ti  Ti2  4  0.0000  0.0000  0.0000  1
]