data_[In2Sb2Se4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2698]
_cell_length_b [4.9026]
_cell_length_c [11.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSbSe2Br]
_chemical_formula_sum '[In2 Sb2 Se4 Br2]'
_cell_volume [381.2577]
_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
[
  In  In0  2  0.3686  0.2500  0.8516  1
  Sb  Sb1  2  0.3475  0.2500  0.3457  1
  Se  Se2  2  0.4603  0.2500  0.1204  1
  Se  Se3  2  0.4638  0.2500  0.6156  1
  Br  Br4  2  0.0036  0.2500  0.7919  1
]