data_[In4Se4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4234]
_cell_length_b [3.9932]
_cell_length_c [6.8267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InSeBr]
_chemical_formula_sum '[In4 Se4 Br4]'
_cell_volume [388.0463]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  In  In1  2  0.0000  0.5000  0.5000  1
  Se  Se2  4  0.1019  0.0000  0.3516  1
  Br  Br3  4  0.1252  0.5000  0.8759  1
]