data_[Bi4Se2Cl4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9780]
_cell_length_b [10.7656]
_cell_length_c [7.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Bi2SeCl2O]
_chemical_formula_sum '[Bi4 Se2 Cl4 O2]'
_cell_volume [342.3826]
_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
[
  Bi  Bi0  2  0.0000  0.2487  0.2339  1
  Bi  Bi1  2  0.5000  0.4171  0.8860  1
  Se  Se2  2  0.0000  0.4183  0.5039  1
  Cl  Cl3  2  0.0000  0.2182  0.8730  1
  Cl  Cl4  2  0.5000  0.1133  0.4015  1
  O  O5  2  0.5000  0.3558  0.1473  1
]