data_[Bi4Se4Cl4O16]
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 [C2/m]
_cell_length_a [10.3186]
_cell_length_b [7.3458]
_cell_length_c [6.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiSeClO4]
_chemical_formula_sum '[Bi4 Se4 Cl4 O16]'
_cell_volume [502.0922]
_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
[
  Bi  Bi0  4  0.2138  0.0000  0.1258  1.0
  Se  Se1  4  0.1395  0.5000  0.2711  1.0
  Cl  Cl2  4  0.0220  0.0000  0.7689  1.0
  O  O3  8  0.1857  0.3255  0.1359  1.0
  O  O4  4  0.0211  0.5000  0.7403  1.0
  O  O5  4  0.2377  0.5000  0.5036  1.0
]