# generated using pymatgen
data_Nb3CrS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80431450
_cell_length_b   5.80431445
_cell_length_c   12.22120952
_cell_angle_alpha   90.00000629
_cell_angle_beta   89.99999898
_cell_angle_gamma   119.99997752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CrS6
_chemical_formula_sum   'Nb6 Cr2 S12'
_cell_volume   356.57163197
_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  0.00000004  0.00000018  0.50002123  1.0
  Nb  Nb1  1  -0.00000027  -0.00000004  -0.00002094  1.0
  Nb  Nb2  1  0.33333314  0.66666663  0.99646330  1.0
  Nb  Nb3  1  0.66666639  0.33333339  0.00349124  1.0
  Nb  Nb4  1  0.66666669  0.33333358  0.49650904  1.0
  Nb  Nb5  1  0.33333333  0.66666683  0.50353694  1.0
  Cr  Cr6  1  0.33333325  0.66666660  0.25000004  1.0
  Cr  Cr7  1  0.66666655  0.33333337  0.75000012  1.0
  S  S8  1  0.33144291  0.33481485  0.37072733  1.0
  S  S9  1  0.66518519  -0.00337172  0.37072750  1.0
  S  S10  1  0.00337199  0.66855725  0.37072730  1.0
  S  S11  1  0.33482233  0.33144157  0.62930211  1.0
  S  S12  1  -0.00338078  0.66517791  0.62930198  1.0
  S  S13  1  0.66855859  0.00338107  0.62930209  1.0
  S  S14  1  0.66855833  0.66517781  0.87069821  1.0
  S  S15  1  0.33482190  0.00338065  0.87069836  1.0
  S  S16  1  -0.00338097  0.33144139  0.87069822  1.0
  S  S17  1  0.66518506  0.66855689  0.12927269  1.0
  S  S18  1  0.00337155  0.33481468  0.12927254  1.0
  S  S19  1  0.33144280  -0.00337188  0.12927269  1.0