data_[Th16Tc4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6881]
_cell_length_b [13.6985]
_cell_length_c [5.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th8Tc2Sn]
_chemical_formula_sum '[Th16 Tc4 Sn2]'
_cell_volume [651.6789]
_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  8  0.2055  0.1214  0.0736  1
  Th  Th1  4  0.0000  0.2508  0.5000  1
  Th  Th2  4  0.1012  0.5000  0.3040  1
  Tc  Tc3  4  0.0000  0.2916  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
]