data_[Cs2Zn2As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6041]
_cell_length_b [4.0732]
_cell_length_c [10.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZnAsSe3]
_chemical_formula_sum '[Cs2 Zn2 As2 Se6]'
_cell_volume [374.0637]
_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  2  0.2080  0.7500  0.2470  1
  Zn  Zn1  2  0.0891  0.7500  0.6128  1
  As  As2  2  0.3401  0.2500  0.8808  1
  Se  Se3  2  0.1464  0.7500  0.8692  1
  Se  Se4  2  0.1924  0.2500  0.5380  1
  Se  Se5  2  0.4651  0.2500  0.1363  1
]