data_[Sc2In2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1730]
_cell_length_b [3.5448]
_cell_length_c [6.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScInBr2]
_chemical_formula_sum '[Sc2 In2 Br4]'
_cell_volume [254.3404]
_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  0.2933  0.0000  0.6220  1
  In  In1  2  0.0612  0.5000  0.6300  1
  Br  Br2  2  0.2369  0.5000  0.2914  1
  Br  Br3  2  0.4086  0.5000  0.9566  1
]