data_[Th8Ga16Co48]
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 [Fd-3m]
_cell_length_a [10.4727]
_cell_length_b [10.4727]
_cell_length_c [10.4727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Th(GaCo3)2]
_chemical_formula_sum '[Th8 Ga16 Co48]'
_cell_volume [1148.6295]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.5000  1
  Ga  Ga1  16  0.1250  0.1250  0.1250  1
  Co  Co2  48  0.0000  0.0000  0.2589  1
]