data_[Th4Fe2Si2C2]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3605]
_cell_length_b [3.9879]
_cell_length_c [8.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2FeSiC]
_chemical_formula_sum '[Th4 Fe2 Si2 C2]'
_cell_volume [198.6943]
_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  0.2161  0.7500  0.3992  1
  Th  Th1  2  0.2298  0.7500  0.9677  1
  Fe  Fe2  2  0.4875  0.2500  0.2576  1
  Si  Si3  2  0.3133  0.2500  0.7042  1
  C  C4  2  0.1805  0.2500  0.1788  1
]