# generated using pymatgen
data_Nb6CrSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05156353
_cell_length_b   6.05156361
_cell_length_c   13.21321985
_cell_angle_alpha   85.67586300
_cell_angle_beta   85.67586204
_cell_angle_gamma   119.99006544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6CrSe12
_chemical_formula_sum   'Nb6 Cr1 Se12'
_cell_volume   414.30917893
_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  0.08128085  0.08128085  0.75509700  1.0
  Nb  Nb1  1  0.41427871  0.74776444  0.75554970  1.0
  Nb  Nb2  1  0.74776444  0.41427871  0.75554970  1.0
  Nb  Nb3  1  0.25223556  0.58572129  0.24445030  1.0
  Nb  Nb4  1  0.58572129  0.25223556  0.24445030  1.0
  Nb  Nb5  1  0.91871915  0.91871915  0.24490300  1.0
  Cr  Cr6  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se7  1  0.29734734  0.29734734  0.11641830  1.0
  Se  Se8  1  0.62477942  0.96088211  0.11632762  1.0
  Se  Se9  1  0.96088211  0.62477942  0.11632762  1.0
  Se  Se10  1  0.03911789  0.37522058  0.88367238  1.0
  Se  Se11  1  0.37522058  0.03911789  0.88367238  1.0
  Se  Se12  1  0.70265266  0.70265266  0.88358170  1.0
  Se  Se13  1  0.21065597  0.21065597  0.37165818  1.0
  Se  Se14  1  0.54333514  0.87684649  0.37179165  1.0
  Se  Se15  1  0.87684649  0.54333514  0.37179165  1.0
  Se  Se16  1  0.12315351  0.45666486  0.62820835  1.0
  Se  Se17  1  0.45666486  0.12315351  0.62820835  1.0
  Se  Se18  1  0.78934403  0.78934403  0.62834182  1.0