data_[Ca6Sb12O24]
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 [R3m]
_cell_length_a [6.8576]
_cell_length_b [6.8576]
_cell_length_c [17.2509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca(SbO2)2]
_chemical_formula_sum '[Ca6 Sb12 O24]'
_cell_volume [702.5689]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.3777  1
  Ca  Ca1  3  0.0000  0.0000  0.9983  1
  Sb  Sb2  9  0.0055  0.5027  0.8776  1
  Sb  Sb3  3  0.0000  0.0000  0.7509  1
  O  O4  9  0.0050  0.5025  0.1260  1
  O  O5  9  0.1848  0.3697  0.9491  1
  O  O6  3  0.0000  0.0000  0.1394  1
  O  O7  3  0.0000  0.0000  0.6256  1
]