data_[Cs2Sc2Zn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8115]
_cell_length_b [3.4212]
_cell_length_c [8.6279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScZnO3]
_chemical_formula_sum '[Cs2 Sc2 Zn2 O6]'
_cell_volume [213.8052]
_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  0.2301  0.2500  0.2428  1.0
  Sc  Sc1  2  0.3396  0.7500  0.8769  1.0
  Zn  Zn2  2  0.0904  0.2500  0.6186  1.0
  O  O3  2  0.1584  0.2500  0.8600  1.0
  O  O4  2  0.1815  0.7500  0.5608  1.0
  O  O5  2  0.4823  0.7500  0.1238  1.0
]