data_[Th8Fe2Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1482]
_cell_length_b [6.8705]
_cell_length_c [7.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th4FeCo]
_chemical_formula_sum '[Th8 Fe2 Co2]'
_cell_volume [300.2143]
_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  4  0.4989  0.0000  0.7519  1
  Th  Th1  2  0.0554  0.7500  0.3870  1
  Th  Th2  2  0.0574  0.7500  0.8900  1
  Fe  Fe3  2  0.3015  0.2500  0.9500  1
  Co  Co4  2  0.3065  0.2500  0.4504  1
]