data_[Ca2Ti4Zn4O14]
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 [Imm2]
_cell_length_a [3.6001]
_cell_length_b [16.2953]
_cell_length_c [5.0181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaTi2Zn2O7]
_chemical_formula_sum '[Ca2 Ti4 Zn4 O14]'
_cell_volume [294.3871]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.8704  1
  Ti  Ti1  4  0.0000  0.3896  0.9354  1
  Zn  Zn2  4  0.0000  0.2806  0.4332  1
  O  O3  4  0.0000  0.1156  0.5580  1
  O  O4  4  0.0000  0.2674  0.0284  1
  O  O5  4  0.0000  0.3991  0.5757  1
  O  O6  2  0.0000  0.5000  0.0687  1
]