data_[Cs4Zn4Si4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9604]
_cell_length_b [16.2515]
_cell_length_c [10.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsZnSiSe3]
_chemical_formula_sum '[Cs4 Zn4 Si4 Se12]'
_cell_volume [669.1736]
_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
[
  Cs  Cs0  4  0.0000  0.2592  0.2500  1
  Zn  Zn1  4  0.0000  0.4554  0.7500  1
  Si  Si2  4  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.0000  0.3924  0.5387  1
  Se  Se4  4  0.0000  0.0464  0.7500  1
]