data_[Th8Co2Bi6]
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 [Pmmn]
_cell_length_a [6.3748]
_cell_length_b [10.4814]
_cell_length_c [9.0061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Th4CoBi3]
_chemical_formula_sum '[Th8 Co2 Bi6]'
_cell_volume [601.7588]
_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  0.0000  0.2053  0.7033  1
  Th  Th1  2  0.0000  0.0000  0.1221  1
  Th  Th2  2  0.0000  0.5000  0.1497  1
  Co  Co3  2  0.0000  0.0000  0.8455  1
  Bi  Bi4  4  0.0000  0.2432  0.3454  1
  Bi  Bi5  2  0.0000  0.5000  0.7934  1
]