data_[Th10Co2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.3006]
_cell_length_b [12.7376]
_cell_length_c [4.5480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Th5CoBi2]
_chemical_formula_sum '[Th10 Co2 Bi4]'
_cell_volume [480.8628]
_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  4  0.1206  0.8113  0.0000  1
  Th  Th1  4  0.1967  0.0588  0.5000  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.0885  0.3206  0.5000  1
]