# generated using pymatgen
data_WBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.15930151
_cell_length_b   14.15930151
_cell_length_c   6.46924999
_cell_angle_alpha   89.80895767
_cell_angle_beta   89.80895767
_cell_angle_gamma   85.77884486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr5
_chemical_formula_sum   'W6 Br30'
_cell_volume   1293.46122571
_cell_formula_units_Z   6
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
  W  W0  1  0.44006500  0.22645100  0.48088700  1.0
  W  W1  1  0.77354900  0.55993500  0.51911300  1.0
  W  W2  1  0.55993500  0.77354900  0.51911300  1.0
  W  W3  1  0.22645100  0.44006500  0.48088700  1.0
  W  W4  1  0.10652900  0.89347100  0.00000000  1.0
  W  W5  1  0.89347100  0.10652900  0.00000000  1.0
  Br  Br6  1  0.52667800  0.33313500  0.26234300  1.0
  Br  Br7  1  0.66686500  0.47332200  0.73765700  1.0
  Br  Br8  1  0.47332200  0.66686500  0.73765700  1.0
  Br  Br9  1  0.33313500  0.52667800  0.26234300  1.0
  Br  Br10  1  0.57283600  0.19630200  0.71543200  1.0
  Br  Br11  1  0.80369800  0.42716400  0.28456800  1.0
  Br  Br12  1  0.04781500  0.04781500  0.77993000  1.0
  Br  Br13  1  0.95218500  0.95218500  0.22007000  1.0
  Br  Br14  1  0.86178600  0.23994600  0.76586400  1.0
  Br  Br15  1  0.76005400  0.13821400  0.23413600  1.0
  Br  Br16  1  0.13821400  0.76005400  0.23413600  1.0
  Br  Br17  1  0.23994600  0.86178600  0.76586400  1.0
  Br  Br18  1  0.00068800  0.19217100  0.21576100  1.0
  Br  Br19  1  0.80782900  0.99931200  0.78423900  1.0
  Br  Br20  1  0.99931200  0.80782900  0.78423900  1.0
  Br  Br21  1  0.19217100  0.00068800  0.21576100  1.0
  Br  Br22  1  0.28584300  0.28584300  0.26355300  1.0
  Br  Br23  1  0.71415700  0.71415700  0.73644700  1.0
  Br  Br24  1  0.09262600  0.47102000  0.24998700  1.0
  Br  Br25  1  0.52898000  0.90737400  0.75001300  1.0
  Br  Br26  1  0.90737400  0.52898000  0.75001300  1.0
  Br  Br27  1  0.47102000  0.09262600  0.24998700  1.0
  Br  Br28  1  0.14050000  0.33300800  0.70054900  1.0
  Br  Br29  1  0.66699200  0.85950000  0.29945100  1.0
  Br  Br30  1  0.85950000  0.66699200  0.29945100  1.0
  Br  Br31  1  0.33300800  0.14050000  0.70054900  1.0
  Br  Br32  1  0.38068600  0.38068600  0.69787900  1.0
  Br  Br33  1  0.61931400  0.61931400  0.30212100  1.0
  Br  Br34  1  0.19630200  0.57283600  0.71543200  1.0
  Br  Br35  1  0.42716400  0.80369800  0.28456800  1.0