data_[Ca2La2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9120]
_cell_length_b [3.9120]
_cell_length_c [12.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaLaTiO4]
_chemical_formula_sum '[Ca2 La2 Ti2 O8]'
_cell_volume [188.5959]
_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  0.3575  1.0
  La  La1  2  0.0000  0.0000  0.6452  1.0
  Ti  Ti2  2  0.0000  0.0000  0.9966  1.0
  O  O3  4  0.0000  0.5000  0.4997  1.0
  O  O4  2  0.0000  0.0000  0.1723  1.0
  O  O5  2  0.0000  0.0000  0.8290  1.0
]