data_[Sc2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2862]
_cell_length_b [7.6654]
_cell_length_c [8.3714]
_cell_angle_alpha [101.8412]
_cell_angle_beta [112.6343]
_cell_angle_gamma [91.5075]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ScBr4]
_chemical_formula_sum '[Sc2 Br8]'
_cell_volume [419.4843]
_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  2  0.2314  0.4084  0.4628  1.0
  Br  Br1  2  0.1103  0.4747  0.7254  1.0
  Br  Br2  2  0.1586  0.0855  0.3301  1.0
  Br  Br3  2  0.3972  0.5725  0.2952  1.0
  Br  Br4  2  0.4117  0.0267  0.0936  1.0
]