# generated using pymatgen
data_ScBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72036105
_cell_length_b   6.72036105
_cell_length_c   3.75547769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99375731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBr2
_chemical_formula_sum   'Sc2 Br4'
_cell_volume   169.60958670
_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
  Sc  Sc0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br2  1  0.29047576  0.29047576  0.00000000  1.0
  Br  Br3  1  0.70952424  0.70952424  0.00000000  1.0
  Br  Br4  1  0.79026579  0.20973521  0.50000000  1.0
  Br  Br5  1  0.20973521  0.79026579  0.50000000  1.0