# generated using pymatgen
data_InBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90773092
_cell_length_b   6.81126174
_cell_length_c   6.80933246
_cell_angle_alpha   59.99062334
_cell_angle_beta   80.87746741
_cell_angle_gamma   71.51821214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBr3
_chemical_formula_sum   'In2 Br6'
_cell_volume   263.12363394
_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
  In  In0  1  0.00000000  0.83340557  0.33318986  1.0
  In  In1  1  -0.00000000  0.16659443  0.66681014  1.0
  Br  Br2  1  0.23756409  0.77566594  -0.00000000  1.0
  Br  Br3  1  0.76394202  0.92712347  0.64905179  1.0
  Br  Br4  1  0.76243591  0.22433406  0.00000000  1.0
  Br  Br5  1  0.23605798  0.07287653  0.35094821  1.0
  Br  Br6  1  0.76394202  0.57617525  0.35094821  1.0
  Br  Br7  1  0.23605798  0.42382475  0.64905179  1.0