data_[Mg6Ti2Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5787]
_cell_length_b [4.4339]
_cell_length_c [9.9073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg3TiCd6]
_chemical_formula_sum '[Mg6 Ti2 Cd12]'
_cell_volume [420.1694]
_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
[
  Mg  Mg0  2  0.2475  0.2500  0.0078  1
  Mg  Mg1  2  0.3474  0.7500  0.8017  1
  Mg  Mg2  2  0.4465  0.2500  0.5977  1
  Ti  Ti3  2  0.0493  0.2500  0.4077  1
  Cd  Cd4  2  0.0520  0.7500  0.8949  1
  Cd  Cd5  2  0.1443  0.2500  0.6971  1
  Cd  Cd6  2  0.1468  0.7500  0.2007  1
  Cd  Cd7  2  0.2417  0.7500  0.4999  1
  Cd  Cd8  2  0.3508  0.2500  0.3056  1
  Cd  Cd9  2  0.4554  0.7500  0.1013  1
]