# generated using pymatgen
data_Th10NiSn6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55385814
_cell_length_b   9.49836214
_cell_length_c   9.49836050
_cell_angle_alpha   119.99999778
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10NiSn6S
_chemical_formula_sum   'Th10 Ni1 Sn6 S1'
_cell_volume   512.06495001
_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  0.74292176  0.74927561  0.74927561  1.0
  Th  Th1  1  0.25707824  0.25072439  0.25072439  1.0
  Th  Th2  1  0.74292176  1.00000000  0.25072439  1.0
  Th  Th3  1  0.25707824  0.00000000  0.74927561  1.0
  Th  Th4  1  0.74292176  0.25072439  0.00000000  1.0
  Th  Th5  1  0.25707824  0.74927561  1.00000000  1.0
  Th  Th6  1  0.00000000  0.66666700  0.33333300  1.0
  Th  Th7  1  0.00000000  0.33333300  0.66666700  1.0
  Th  Th8  1  0.50000000  0.33333300  0.66666700  1.0
  Th  Th9  1  0.50000000  0.66666700  0.33333300  1.0
  Ni  Ni10  1  0.50000000  0.00000000  0.00000000  1.0
  Sn  Sn11  1  0.74947893  0.39031616  0.39031616  1.0
  Sn  Sn12  1  0.25052107  0.60968384  0.60968384  1.0
  Sn  Sn13  1  0.74947893  1.00000000  0.60968384  1.0
  Sn  Sn14  1  0.25052107  0.00000000  0.39031616  1.0
  Sn  Sn15  1  0.74947893  0.60968384  0.00000000  1.0
  Sn  Sn16  1  0.25052107  0.39031616  1.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0