data_[Ca8Sn8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8603]
_cell_length_b [5.7180]
_cell_length_c [9.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaSnO3]
_chemical_formula_sum '[Ca8 Sn8 O24]'
_cell_volume [519.6915]
_cell_formula_units_Z [8]
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  8  0.1374  0.2821  0.6359  1.0
  Sn  Sn1  4  0.0000  0.2373  0.2500  1.0
  Sn  Sn2  4  0.2500  0.2500  0.0000  1.0
  O  O3  8  0.0692  0.2617  0.0690  1.0
  O  O4  8  0.1526  0.0204  0.8334  1.0
  O  O5  8  0.1619  0.4788  0.3532  1.0
]