# generated using pymatgen
data_NbCr3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76487276
_cell_length_b   6.90813882
_cell_length_c   6.89568056
_cell_angle_alpha   60.21879005
_cell_angle_beta   59.52970020
_cell_angle_gamma   59.58114002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr3S8
_chemical_formula_sum   'Nb1 Cr3 S8'
_cell_volume   226.69108634
_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  0.99995900  0.50002600  0.50006100  1.0
  Cr  Cr1  1  0.50006500  0.49994800  0.49994600  1.0
  Cr  Cr2  1  0.49984600  0.49996900  0.00004400  1.0
  Cr  Cr3  1  0.50001800  0.00003400  0.50008600  1.0
  S  S4  1  0.73842000  0.75457500  0.75489300  1.0
  S  S5  1  0.26160800  0.24563200  0.74797900  1.0
  S  S6  1  0.26166400  0.74785100  0.24547700  1.0
  S  S7  1  0.73380300  0.25538800  0.25533800  1.0
  S  S8  1  0.73837400  0.25212600  0.75448400  1.0
  S  S9  1  0.26626200  0.74465800  0.74445000  1.0
  S  S10  1  0.26158500  0.24544000  0.24514000  1.0
  S  S11  1  0.73839000  0.75435800  0.25209100  1.0