data_[Th8Co2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8707]
_cell_length_b [10.9242]
_cell_length_c [6.1153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th4CoSb]
_chemical_formula_sum '[Th8 Co2 Sb2]'
_cell_volume [384.9267]
_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  0.2629  0.5280  0.2202  1
  Th  Th1  2  0.1867  0.7500  0.7544  1
  Th  Th2  2  0.2187  0.2500  0.8763  1
  Co  Co3  2  0.3056  0.7500  0.2671  1
  Sb  Sb4  2  0.3480  0.2500  0.4076  1
]