# generated using pymatgen
data_Nb5Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46585525
_cell_length_b   7.26833985
_cell_length_c   7.26833970
_cell_angle_alpha   86.74127778
_cell_angle_beta   76.20660134
_cell_angle_gamma   76.20662007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Se4
_chemical_formula_sum   'Nb5 Se4'
_cell_volume   172.68874855
_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  0.69505286  0.93138705  0.67850724  1.0
  Nb  Nb1  1  0.37355910  0.32149276  0.93138705  1.0
  Nb  Nb2  1  0.62644090  0.67850724  0.06861295  1.0
  Nb  Nb3  1  0.30494714  0.06861295  0.32149276  1.0
  Nb  Nb4  1  -0.00000000  0.00000000  -0.00000000  1.0
  Se  Se5  1  0.94105413  0.77792630  0.33996644  1.0
  Se  Se6  1  0.28102057  0.66003356  0.77792630  1.0
  Se  Se7  1  0.71897943  0.33996644  0.22207370  1.0
  Se  Se8  1  0.05894587  0.22207370  0.66003356  1.0