data_[Th4Al4Co8]
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 [Pmma]
_cell_length_a [5.3793]
_cell_length_b [4.8949]
_cell_length_c [11.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ThAlCo2]
_chemical_formula_sum '[Th4 Al4 Co8]'
_cell_volume [301.3053]
_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
[
  Th  Th0  2  0.2500  0.0000  0.4250  1
  Th  Th1  2  0.2500  0.5000  0.1236  1
  Al  Al2  2  0.2500  0.0000  0.7109  1
  Al  Al3  2  0.2500  0.5000  0.6749  1
  Co  Co4  4  0.2500  0.2683  0.8770  1
  Co  Co5  2  0.0000  0.0000  0.0000  1
  Co  Co6  2  0.0000  0.5000  0.5000  1
]