data_[Th14Al4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8891]
_cell_length_b [11.2331]
_cell_length_c [6.8211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th7(AlCo)2]
_chemical_formula_sum '[Th14 Al4 Co4]'
_cell_volume [604.4752]
_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
[
  Th  Th0  8  0.2500  0.2500  0.2610  1
  Th  Th1  4  0.0000  0.5000  0.2421  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.1646  0.0000  0.5000  1
  Co  Co4  4  0.0000  0.2694  0.0000  1
]