# generated using pymatgen
data_YBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15941635
_cell_length_b   7.15941635
_cell_length_c   6.98755080
_cell_angle_alpha   80.23502572
_cell_angle_beta   99.76497428
_cell_angle_gamma   60.19911486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr3
_chemical_formula_sum   'Y2 Br6'
_cell_volume   292.48470024
_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
  Y  Y0  1  0.16683699  0.16683699  -0.00000000  1.0
  Y  Y1  1  0.83316301  0.83316301  -0.00000000  1.0
  Br  Br2  1  0.06367012  0.57991043  0.75839685  1.0
  Br  Br3  1  0.42008957  0.93632988  0.75839685  1.0
  Br  Br4  1  0.22210323  0.77789677  0.24330091  1.0
  Br  Br5  1  0.77789677  0.22210323  0.75669909  1.0
  Br  Br6  1  0.57991043  0.06367012  0.24160315  1.0
  Br  Br7  1  0.93632988  0.42008957  0.24160315  1.0