# generated using pymatgen
data_YBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29537900
_cell_length_b   7.29537900
_cell_length_c   3.68840900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr2
_chemical_formula_sum   'Y2 Br4'
_cell_volume   196.30654996
_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  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br2  1  0.28278700  0.28278700  0.00000000  1.0
  Br  Br3  1  0.71721300  0.71721300  0.00000000  1.0
  Br  Br4  1  0.21721300  0.78278700  0.50000000  1.0
  Br  Br5  1  0.78278700  0.21721300  0.50000000  1.0