# generated using pymatgen
data_Nb4H3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45860745
_cell_length_b   3.45860761
_cell_length_c   27.74751449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4H3Se8
_chemical_formula_sum   'Nb4 H3 Se8'
_cell_volume   287.44670391
_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  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb2  1  0.33333300  0.66666700  0.24990736  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.75009264  1.0
  H  H4  1  0.00000000  0.00000000  0.50000000  1.0
  H  H5  1  0.00000000  0.00000000  0.24982930  1.0
  H  H6  1  0.00000000  0.00000000  0.75017070  1.0
  Se  Se7  1  0.66666700  0.33333300  0.31312969  1.0
  Se  Se8  1  0.66666700  0.33333300  0.81332661  1.0
  Se  Se9  1  0.33333300  0.66666700  0.93915383  1.0
  Se  Se10  1  0.33333300  0.66666700  0.43664447  1.0
  Se  Se11  1  0.33333300  0.66666700  0.06084617  1.0
  Se  Se12  1  0.33333300  0.66666700  0.56335553  1.0
  Se  Se13  1  0.66666700  0.33333300  0.18667339  1.0
  Se  Se14  1  0.66666700  0.33333300  0.68687031  1.0