data_[Ca4Ti8Zn4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4609]
_cell_length_b [10.7182]
_cell_length_c [6.1544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTi2ZnO6]
_chemical_formula_sum '[Ca4 Ti8 Zn4 O24]'
_cell_volume [567.6486]
_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
[
  Ca  Ca0  4  0.0000  0.1012  0.2500  1.0
  Ti  Ti1  8  0.1513  0.4187  0.1854  1.0
  Zn  Zn2  4  0.0000  0.2007  0.7500  1.0
  O  O3  8  0.1013  0.2611  0.0775  1.0
  O  O4  8  0.1169  0.4533  0.4601  1.0
  O  O5  8  0.1351  0.0755  0.6760  1.0
]