data_[Th2U2Mn2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2250]
_cell_length_b [3.5497]
_cell_length_c [7.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThUMnC3]
_chemical_formula_sum '[Th2 U2 Mn2 C6]'
_cell_volume [190.4155]
_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  0.1573  0.7500  0.1844  1
  U  U1  2  0.3555  0.2500  0.8245  1
  Mn  Mn2  2  0.0934  0.7500  0.5862  1
  C  C3  2  0.1313  0.7500  0.8471  1
  C  C4  2  0.1552  0.2500  0.5292  1
  C  C5  2  0.4196  0.2500  0.1281  1
]