# generated using pymatgen
data_NbCrSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55951052
_cell_length_b   9.33728426
_cell_length_c   10.53192048
_cell_angle_alpha   63.74950023
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrSe5
_chemical_formula_sum   'Nb2 Cr2 Se10'
_cell_volume   313.94053133
_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  0.75000000  0.26973300  0.63713037  1.0
  Nb  Nb1  1  0.25000000  0.73026700  0.36286963  1.0
  Cr  Cr2  1  0.25000000  0.42856836  0.89389934  1.0
  Cr  Cr3  1  0.75000000  0.57143164  0.10610066  1.0
  Se  Se4  1  0.75000000  0.51792442  0.36566853  1.0
  Se  Se5  1  0.25000000  0.36367820  0.14882825  1.0
  Se  Se6  1  0.25000000  0.48207558  0.63433147  1.0
  Se  Se7  1  0.75000000  0.83282776  0.49483669  1.0
  Se  Se8  1  0.25000000  0.16717224  0.50516331  1.0
  Se  Se9  1  0.25000000  0.03400798  0.75484284  1.0
  Se  Se10  1  0.25000000  0.77293183  0.08795304  1.0
  Se  Se11  1  0.75000000  0.96599202  0.24515716  1.0
  Se  Se12  1  0.75000000  0.22706817  0.91204696  1.0
  Se  Se13  1  0.75000000  0.63632180  0.85117175  1.0