data_[Th12Co4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.7830]
_cell_length_b [4.3909]
_cell_length_c [11.6518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th3CoSn2]
_chemical_formula_sum '[Th12 Co4 Sn8]'
_cell_volume [654.0019]
_cell_formula_units_Z [4]
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  0.0570  0.2500  0.3874  1
  Th  Th1  4  0.1170  0.7500  0.9542  1
  Th  Th2  4  0.2412  0.2500  0.7225  1
  Co  Co3  4  0.1242  0.2500  0.1563  1
  Sn  Sn4  4  0.0040  0.7500  0.1987  1
  Sn  Sn5  4  0.2011  0.7500  0.5163  1
]