# generated using pymatgen
data_Nb2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33262747
_cell_length_b   9.33262747
_cell_length_c   6.05983100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.92674684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Br5
_chemical_formula_sum   'Nb4 Br10'
_cell_volume   492.98402276
_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  0.86462100  0.86462100  0.00000000  1.0
  Nb  Nb1  1  0.86462100  0.86462100  0.50000000  1.0
  Nb  Nb2  1  0.13537900  0.13537900  0.50000000  1.0
  Nb  Nb3  1  0.13537900  0.13537900  0.00000000  1.0
  Br  Br4  1  0.03996800  0.31804100  0.75000000  1.0
  Br  Br5  1  0.38747700  0.25103000  0.75000000  1.0
  Br  Br6  1  0.88760400  0.11239600  0.25000000  1.0
  Br  Br7  1  0.11239600  0.88760400  0.75000000  1.0
  Br  Br8  1  0.25103000  0.38747700  0.25000000  1.0
  Br  Br9  1  0.74897000  0.61252300  0.75000000  1.0
  Br  Br10  1  0.31804100  0.03996800  0.25000000  1.0
  Br  Br11  1  0.61252300  0.74897000  0.25000000  1.0
  Br  Br12  1  0.68195900  0.96003200  0.75000000  1.0
  Br  Br13  1  0.96003200  0.68195900  0.25000000  1.0