data_[Cs2Ca2Zn2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.9822]
_cell_length_b [6.0758]
_cell_length_c [6.8514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsCaZnO2]
_chemical_formula_sum '[Cs2 Ca2 Zn2 O4]'
_cell_volume [309.4188]
_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  0.5000  0.2240  0.7500  1
  Ca  Ca1  2  0.0000  0.4970  0.2500  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.0976  0.2757  0.5433  1
]