# generated using pymatgen
data_Nb2ReSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89498635
_cell_length_b   5.89498674
_cell_length_c   6.97878848
_cell_angle_alpha   81.93628093
_cell_angle_beta   81.93628776
_cell_angle_gamma   119.98602909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReSe6
_chemical_formula_sum   'Nb2 Re1 Se6'
_cell_volume   201.62484108
_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  0.83370864  0.50010635  0.49982636  1.0
  Nb  Nb1  1  0.50010635  0.83370864  0.49982636  1.0
  Re  Re2  1  0.16632339  0.16632339  0.50024014  1.0
  Se  Se3  1  0.57271297  0.24906236  0.25208107  1.0
  Se  Se4  1  0.24906236  0.57271297  0.25208107  1.0
  Se  Se5  1  0.92473903  0.92473903  0.25231886  1.0
  Se  Se6  1  0.76019743  0.76019743  0.74794601  1.0
  Se  Se7  1  0.40854249  0.08451134  0.74799007  1.0
  Se  Se8  1  0.08451134  0.40854249  0.74799007  1.0