data_[Cs10Se2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.3555]
_cell_length_b [11.3555]
_cell_length_c [7.0921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Cs5SeCl4]
_chemical_formula_sum '[Cs10 Se2 Cl8]'
_cell_volume [914.5080]
_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
[
  Cs  Cs0  8  0.1055  0.3093  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.5000  1
  Se  Se2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1027  0.3005  0.5000  1
]