# generated using pymatgen
data_YCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97411951
_cell_length_b   3.97411951
_cell_length_c   10.15077222
_cell_angle_alpha   81.77153259
_cell_angle_beta   98.22846741
_cell_angle_gamma   123.06218080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCBr
_chemical_formula_sum   'Y2 C2 Br2'
_cell_volume   132.56608123
_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  0.59294779  0.40705221  0.85460996  1.0
  Y  Y1  1  0.40705221  0.59294779  0.14539004  1.0
  C  C2  1  0.91254613  0.08745387  0.96217407  1.0
  C  C3  1  0.08745387  0.91254613  0.03782593  1.0
  Br  Br4  1  0.20399880  0.79600120  0.66713277  1.0
  Br  Br5  1  0.79600120  0.20399880  0.33286723  1.0