data_[Th2Mn2Nb2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1193]
_cell_length_b [3.3375]
_cell_length_c [7.4421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThMnNbC3]
_chemical_formula_sum '[Th2 Mn2 Nb2 C6]'
_cell_volume [171.0461]
_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  0.1891  0.7500  0.2046  1
  Mn  Mn1  2  0.0958  0.7500  0.6046  1
  Nb  Nb2  2  0.3509  0.2500  0.8563  1
  C  C3  2  0.1206  0.7500  0.8568  1
  C  C4  2  0.1722  0.2500  0.5284  1
  C  C5  2  0.4386  0.2500  0.1552  1
]