data_[Th8Ga4Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7544]
_cell_length_b [3.8110]
_cell_length_c [16.6312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th2GaCo3]
_chemical_formula_sum '[Th8 Ga4 Co12]'
_cell_volume [428.1039]
_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  4  0.1109  0.2500  0.2902  1
  Th  Th1  4  0.1452  0.2500  0.0736  1
  Ga  Ga2  4  0.0206  0.7500  0.4371  1
  Co  Co3  4  0.1116  0.2500  0.8550  1
  Co  Co4  4  0.1991  0.2500  0.6904  1
  Co  Co5  4  0.2441  0.2500  0.4493  1
]