data_[Ca4Ti4Cl4O10]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7532]
_cell_length_b [3.7532]
_cell_length_c [25.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca2Ti2Cl2O5]
_chemical_formula_sum '[Ca4 Ti4 Cl4 O10]'
_cell_volume [362.1446]
_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  4  0.0000  0.0000  0.3519  1
  Ti  Ti1  4  0.0000  0.0000  0.0704  1
  Cl  Cl2  4  0.0000  0.0000  0.1958  1
  O  O3  8  0.0000  0.5000  0.0918  1
  O  O4  2  0.0000  0.0000  0.0000  1
]