# generated using pymatgen
data_NbMoS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28209000
_cell_length_b   6.26914200
_cell_length_c   8.80014441
_cell_angle_alpha   75.81521402
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoS3
_chemical_formula_sum   'Nb2 Mo2 S6'
_cell_volume   175.55002194
_cell_formula_units_Z   2
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  0.25000000  0.69102700  0.00635700  1.0
  Nb  Nb1  1  0.75000000  0.30897300  0.99364300  1.0
  Mo  Mo2  1  0.25000000  0.88702300  0.62361300  1.0
  Mo  Mo3  1  0.75000000  0.11297700  0.37638700  1.0
  S  S4  1  0.25000000  0.02927600  0.16414800  1.0
  S  S5  1  0.75000000  0.97072400  0.83585200  1.0
  S  S6  1  0.25000000  0.49306600  0.79771400  1.0
  S  S7  1  0.75000000  0.50693400  0.20228600  1.0
  S  S8  1  0.25000000  0.26835300  0.51414000  1.0
  S  S9  1  0.75000000  0.73164700  0.48586000  1.0