# generated using pymatgen
data_ThSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14291393
_cell_length_b   5.92058138
_cell_length_c   7.96498443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSi
_chemical_formula_sum   'Th4 Si4'
_cell_volume   195.36879461
_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  1  0.25000000  0.12381104  0.17986721  1.0
  Th  Th1  1  0.75000000  0.87618896  0.82013279  1.0
  Th  Th2  1  0.75000000  0.62381104  0.32013279  1.0
  Th  Th3  1  0.25000000  0.37618896  0.67986721  1.0
  Si  Si4  1  0.25000000  0.62865403  0.03860205  1.0
  Si  Si5  1  0.75000000  0.37134597  0.96139795  1.0
  Si  Si6  1  0.75000000  0.12865403  0.46139795  1.0
  Si  Si7  1  0.25000000  0.87134597  0.53860205  1.0