data_[Th6Fe2Bi2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9570]
_cell_length_b [3.8528]
_cell_length_c [9.0672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3FeBiC]
_chemical_formula_sum '[Th6 Fe2 Bi2 C2]'
_cell_volume [297.2105]
_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  2  0.1394  0.2500  0.4427  1
  Th  Th1  2  0.1908  0.2500  0.8538  1
  Th  Th2  2  0.4602  0.7500  0.7046  1
  Fe  Fe3  2  0.4605  0.7500  0.0488  1
  Bi  Bi4  2  0.2024  0.7500  0.1650  1
  C  C5  2  0.1629  0.7500  0.6426  1
]