# generated using pymatgen
data_Sc4BBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73318843
_cell_length_b   8.73318794
_cell_length_c   7.69274129
_cell_angle_alpha   102.60837472
_cell_angle_beta   102.60837467
_cell_angle_gamma   24.39201337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4BBr5
_chemical_formula_sum   'Sc4 B1 Br5'
_cell_volume   236.18026269
_cell_formula_units_Z   1
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  0.63785366  0.63785366  0.07178365  1.0
  Sc  Sc1  1  0.00010715  0.00010715  0.20285169  1.0
  Sc  Sc2  1  0.99989285  0.99989285  0.79714831  1.0
  Sc  Sc3  1  0.36214634  0.36214634  0.92821535  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br5  1  0.83002607  0.83002607  0.16653375  1.0
  Br  Br6  1  0.16497550  0.16497550  0.33507601  1.0
  Br  Br7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.83502450  0.83502450  0.66492399  1.0
  Br  Br9  1  0.16997393  0.16997393  0.83346625  1.0