# generated using pymatgen
data_NbMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28607481
_cell_length_b   5.70306943
_cell_length_c   6.53757305
_cell_angle_alpha   72.88201625
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoS4
_chemical_formula_sum   'Nb1 Mo1 S4'
_cell_volume   117.09127982
_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  0.50000000  0.49463816  0.00093220  1.0
  Mo  Mo1  1  0.00000000  0.00357954  0.00074505  1.0
  S  S2  1  -0.00000000  0.41183302  0.75099577  1.0
  S  S3  1  0.50000000  0.92128208  0.75743629  1.0
  S  S4  1  0.50000000  0.75731774  0.24378312  1.0
  S  S5  1  0.00000000  0.24334746  0.25010857  1.0