# generated using pymatgen
data_NbInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33894937
_cell_length_b   3.33877186
_cell_length_c   8.74560753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00175885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInS2
_chemical_formula_sum   'Nb1 In1 S2'
_cell_volume   84.43247038
_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
  Nb  Nb0  1  0.33320558  0.66641316  0.50000000  1.0
  In  In1  1  0.00024876  0.00049953  -0.00000000  1.0
  S  S2  1  0.99992233  0.99984466  0.67894648  1.0
  S  S3  1  0.99992233  0.99984466  0.32105352  1.0