data_[Th2Mn2Mo2C6]
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
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8824]
_cell_length_b [3.2936]
_cell_length_c [7.4667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThMnMoC3]
_chemical_formula_sum '[Th2 Mn2 Mo2 C6]'
_cell_volume [161.8677]
_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  0.1998  0.7500  0.2137  1
  Mn  Mn1  2  0.1065  0.7500  0.6066  1
  Mo  Mo2  2  0.3459  0.2500  0.8688  1
  C  C3  2  0.1217  0.7500  0.8603  1
  C  C4  2  0.1808  0.2500  0.5246  1
  C  C5  2  0.4510  0.2500  0.1621  1
]