# generated using pymatgen
data_KBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41232665
_cell_length_b   6.41243551
_cell_length_c   7.08703777
_cell_angle_alpha   90.00041511
_cell_angle_beta   89.99991839
_cell_angle_gamma   119.99990406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBr3
_chemical_formula_sum   'K2 Br6'
_cell_volume   252.36809358
_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
  K  K0  1  0.66667648  0.33333941  0.25000153  1.0
  K  K1  1  0.33328893  0.66660866  0.75000282  1.0
  Br  Br2  1  0.83250558  0.16754610  0.75000119  1.0
  Br  Br3  1  0.33512821  0.16758386  0.75000104  1.0
  Br  Br4  1  0.83247447  0.66492774  0.74999955  1.0
  Br  Br5  1  0.16752499  0.83251591  0.24999768  1.0
  Br  Br6  1  0.66487906  0.83245294  0.24999785  1.0
  Br  Br7  1  0.16752228  0.33502639  0.24999934  1.0