data_[Cs4Ca2Zn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2615]
_cell_length_b [4.2460]
_cell_length_c [8.4654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ca(ZnSe2)2]
_chemical_formula_sum '[Cs4 Ca2 Zn4 Se8]'
_cell_volume [554.5876]
_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  4  0.1293  0.0000  0.5456  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1705  0.5000  0.9724  1.0
  Se  Se3  4  0.0248  0.5000  0.7757  1.0
  Se  Se4  4  0.2035  0.0000  0.1542  1.0
]