data_[Th8Pa4Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.4912]
_cell_length_b [7.3653]
_cell_length_c [5.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th2PaCo3]
_chemical_formula_sum '[Th8 Pa4 Co12]'
_cell_volume [500.3804]
_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  8  0.1664  0.3347  0.7500  1
  Pa  Pa1  4  0.0000  0.1643  0.2500  1
  Co  Co2  8  0.1542  0.0000  0.0000  1
  Co  Co3  4  0.0000  0.5000  0.0000  1
]