data_[In2Bi4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3332]
_cell_length_b [12.0877]
_cell_length_c [4.4239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [In(BiSe2)2]
_chemical_formula_sum '[In2 Bi4 Se8]'
_cell_volume [392.1432]
_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  0.0000  0.5000  0.0000  1
  Bi  Bi1  4  0.1012  0.1765  0.5000  1
  Se  Se2  4  0.1370  0.7102  0.0000  1
  Se  Se3  4  0.2418  0.4504  0.5000  1
]