# generated using pymatgen
data_NbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49940700
_cell_length_b   8.49940700
_cell_length_c   19.66063700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe4
_chemical_formula_sum   'Nb12 Se48'
_cell_volume   1420.28283128
_cell_formula_units_Z   12
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  0.50000000  0.00000000  0.75988100  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.41571400  1.0
  Nb  Nb2  1  0.00000000  0.50000000  0.92793400  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.07206600  1.0
  Nb  Nb4  1  0.50000000  0.00000000  0.25988100  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24011900  1.0
  Nb  Nb6  1  0.00000000  0.50000000  0.58428600  1.0
  Nb  Nb7  1  0.50000000  0.00000000  0.57206600  1.0
  Nb  Nb8  1  0.00000000  0.50000000  0.42793400  1.0
  Nb  Nb9  1  0.00000000  0.50000000  0.08428600  1.0
  Nb  Nb10  1  0.00000000  0.50000000  0.74011900  1.0
  Nb  Nb11  1  0.50000000  0.00000000  0.91571400  1.0
  Se  Se12  1  0.76312000  0.39817100  0.00238300  1.0
  Se  Se13  1  0.23688000  0.60182900  0.00238300  1.0
  Se  Se14  1  0.10182900  0.26312000  0.00238300  1.0
  Se  Se15  1  0.89817100  0.73688000  0.00238300  1.0
  Se  Se16  1  0.78067900  0.39687300  0.33380900  1.0
  Se  Se17  1  0.21932100  0.60312700  0.33380900  1.0
  Se  Se18  1  0.10312700  0.28067900  0.33380900  1.0
  Se  Se19  1  0.89687300  0.71932100  0.33380900  1.0
  Se  Se20  1  0.71932100  0.10312700  0.66619100  1.0
  Se  Se21  1  0.28067900  0.89687300  0.66619100  1.0
  Se  Se22  1  0.39687300  0.21932100  0.66619100  1.0
  Se  Se23  1  0.60312700  0.78067900  0.66619100  1.0
  Se  Se24  1  0.75831200  0.40604600  0.66570900  1.0
  Se  Se25  1  0.24168800  0.59395400  0.66570900  1.0
  Se  Se26  1  0.09395400  0.25831200  0.66570900  1.0
  Se  Se27  1  0.90604600  0.74168800  0.66570900  1.0
  Se  Se28  1  0.59395400  0.24168800  0.83429100  1.0
  Se  Se29  1  0.40604600  0.75831200  0.83429100  1.0
  Se  Se30  1  0.25831200  0.09395400  0.83429100  1.0
  Se  Se31  1  0.74168800  0.90604600  0.83429100  1.0
  Se  Se32  1  0.60182900  0.23688000  0.49761700  1.0
  Se  Se33  1  0.39817100  0.76312000  0.49761700  1.0
  Se  Se34  1  0.26312000  0.10182900  0.49761700  1.0
  Se  Se35  1  0.73688000  0.89817100  0.49761700  1.0
  Se  Se36  1  0.90604600  0.25831200  0.16570900  1.0
  Se  Se37  1  0.09395400  0.74168800  0.16570900  1.0
  Se  Se38  1  0.24168800  0.40604600  0.16570900  1.0
  Se  Se39  1  0.75831200  0.59395400  0.16570900  1.0
  Se  Se40  1  0.73688000  0.10182900  0.99761700  1.0
  Se  Se41  1  0.26312000  0.89817100  0.99761700  1.0
  Se  Se42  1  0.39817100  0.23688000  0.99761700  1.0
  Se  Se43  1  0.60182900  0.76312000  0.99761700  1.0
  Se  Se44  1  0.89687300  0.28067900  0.83380900  1.0
  Se  Se45  1  0.10312700  0.71932100  0.83380900  1.0
  Se  Se46  1  0.21932100  0.39687300  0.83380900  1.0
  Se  Se47  1  0.78067900  0.60312700  0.83380900  1.0
  Se  Se48  1  0.74168800  0.09395400  0.33429100  1.0
  Se  Se49  1  0.25831200  0.90604600  0.33429100  1.0
  Se  Se50  1  0.40604600  0.24168800  0.33429100  1.0
  Se  Se51  1  0.59395400  0.75831200  0.33429100  1.0
  Se  Se52  1  0.89817100  0.26312000  0.50238300  1.0
  Se  Se53  1  0.10182900  0.73688000  0.50238300  1.0
  Se  Se54  1  0.23688000  0.39817100  0.50238300  1.0
  Se  Se55  1  0.76312000  0.60182900  0.50238300  1.0
  Se  Se56  1  0.60312700  0.21932100  0.16619100  1.0
  Se  Se57  1  0.39687300  0.78067900  0.16619100  1.0
  Se  Se58  1  0.28067900  0.10312700  0.16619100  1.0
  Se  Se59  1  0.71932100  0.89687300  0.16619100  1.0