# generated using pymatgen
data_Th2SiTcI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31675919
_cell_length_b   4.31676021
_cell_length_c   11.96078398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2SiTcI2
_chemical_formula_sum   'Th2 Si1 Tc1 I2'
_cell_volume   193.02168096
_cell_formula_units_Z   1
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  1  0.00000000  0.00000000  0.14770157  1.0
  Th  Th1  1  0.00000000  0.00000000  0.84971786  1.0
  Si  Si2  1  0.66666700  0.33333300  0.99455375  1.0
  Tc  Tc3  1  0.33333300  0.66666700  0.00481908  1.0
  I  I4  1  0.33333300  0.66666700  0.66275985  1.0
  I  I5  1  0.66666700  0.33333300  0.34044789  1.0