data_[Ca4Ti4Sn8O24]
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
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [7.9037]
_cell_length_b [7.9037]
_cell_length_c [7.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [137]
_chemical_formula_structural [CaTi(SnO3)2]
_chemical_formula_sum '[Ca4 Ti4 Sn8 O24]'
_cell_volume [499.6577]
_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  0.5000  0.0285  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Sn  Sn3  8  0.2500  0.2500  0.2500  1
  O  O4  8  0.0000  0.1957  0.1458  1
  O  O5  8  0.0000  0.3246  0.7900  1
  O  O6  8  0.1798  0.1798  0.5000  1
]