data_[Ca4Sb8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.4861]
_cell_length_b [7.4861]
_cell_length_c [8.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ca(SbO2)2]
_chemical_formula_sum '[Ca4 Sb8 O16]'
_cell_volume [487.7120]
_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  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.7500  1.0
  Sb  Sb2  8  0.0322  0.2200  0.1581  1.0
  O  O3  8  0.0595  0.8058  0.7327  1.0
  O  O4  8  0.0646  0.6983  0.3634  1.0
]