data_[Sr4Ca4Ti8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.7921]
_cell_length_b [7.8035]
_cell_length_c [7.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCaTi2O6]
_chemical_formula_sum '[Sr4 Ca4 Ti8 O24]'
_cell_volume [475.0801]
_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
[
  Sr  Sr0  4  0.0000  0.0101  0.2500  1.0
  Ca  Ca1  4  0.0000  0.4882  0.7500  1.0
  Ti  Ti2  8  0.2500  0.2500  0.0000  1.0
  O  O3  8  0.0000  0.2822  0.0402  1.0
  O  O4  8  0.2095  0.2580  0.7500  1.0
  O  O5  8  0.2220  0.0000  0.0000  1.0
]