# generated using pymatgen
data_Th6Ni6Sn5Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40655999
_cell_length_b   8.40656022
_cell_length_c   8.40655942
_cell_angle_alpha   109.87373933
_cell_angle_beta   109.87373848
_cell_angle_gamma   109.87373673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Ni6Sn5Te3
_chemical_formula_sum   'Th6 Ni6 Sn5 Te3'
_cell_volume   450.38911063
_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  0.88004720  0.24828249  0.13268375  1.0
  Th  Th1  1  0.61491740  0.75333774  0.36297654  1.0
  Th  Th2  1  0.24828249  0.13268375  0.88004720  1.0
  Th  Th3  1  0.75333774  0.36297654  0.61491740  1.0
  Th  Th4  1  0.13268375  0.88004720  0.24828249  1.0
  Th  Th5  1  0.36297654  0.61491740  0.75333774  1.0
  Ni  Ni6  1  0.37535348  0.24550349  0.62438684  1.0
  Ni  Ni7  1  0.11586507  0.74939522  0.87399519  1.0
  Ni  Ni8  1  0.24550349  0.62438684  0.37535348  1.0
  Ni  Ni9  1  0.74939522  0.87399519  0.11586507  1.0
  Ni  Ni10  1  0.62438684  0.37535348  0.24550349  1.0
  Ni  Ni11  1  0.87399519  0.11586507  0.74939522  1.0
  Sn  Sn12  1  0.84514730  0.84514730  0.84514730  1.0
  Sn  Sn13  1  0.49749874  0.99906489  0.15648496  1.0
  Sn  Sn14  1  0.15648496  0.49749874  0.99906489  1.0
  Sn  Sn15  1  0.99906489  0.15648496  0.49749874  1.0
  Sn  Sn16  1  0.36204240  0.36204240  0.36204240  1.0
  Te  Te17  1  0.66008733  0.50271112  0.00021886  1.0
  Te  Te18  1  0.50271112  0.00021886  0.66008733  1.0
  Te  Te19  1  0.00021886  0.66008733  0.50271112  1.0