# generated using pymatgen
data_Nb2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37293036
_cell_length_b   9.37293036
_cell_length_c   6.02679200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.61329759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Br5
_chemical_formula_sum   'Nb4 Br10'
_cell_volume   509.92748845
_cell_formula_units_Z   2
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  0.82784500  0.82784500  0.00000000  1.0
  Nb  Nb1  1  0.82784500  0.82784500  0.50000000  1.0
  Nb  Nb2  1  0.17215500  0.17215500  0.50000000  1.0
  Nb  Nb3  1  0.17215500  0.17215500  0.00000000  1.0
  Br  Br4  1  0.02778900  0.32273500  0.75000000  1.0
  Br  Br5  1  0.41049400  0.26208900  0.75000000  1.0
  Br  Br6  1  0.91179700  0.08820300  0.25000000  1.0
  Br  Br7  1  0.08820300  0.91179700  0.75000000  1.0
  Br  Br8  1  0.26208900  0.41049400  0.25000000  1.0
  Br  Br9  1  0.73791100  0.58950600  0.75000000  1.0
  Br  Br10  1  0.32273500  0.02778900  0.25000000  1.0
  Br  Br11  1  0.58950600  0.73791100  0.25000000  1.0
  Br  Br12  1  0.67726500  0.97221100  0.75000000  1.0
  Br  Br13  1  0.97221100  0.67726500  0.25000000  1.0