data_[Th6Si2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4022]
_cell_length_b [3.8412]
_cell_length_c [8.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3SiTc]
_chemical_formula_sum '[Th6 Si2 Tc2]'
_cell_volume [254.1544]
_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  0.0758  0.2500  0.2115  1
  Th  Th1  2  0.3217  0.2500  0.9505  1
  Th  Th2  2  0.3710  0.7500  0.6001  1
  Si  Si3  2  0.0669  0.2500  0.5852  1
  Tc  Tc4  2  0.3418  0.7500  0.2173  1
]