data_[Ca10Sb4O2]
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 [I4mm]
_cell_length_a [7.0128]
_cell_length_b [7.0128]
_cell_length_c [9.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca5Sb2O]
_chemical_formula_sum '[Ca10 Sb4 O2]'
_cell_volume [463.0141]
_cell_formula_units_Z [2]
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  0.2390  0.2390  0.9922  1
  Ca  Ca1  2  0.0000  0.0000  0.2493  1
  Sb  Sb2  4  0.0000  0.5000  0.2448  1
  O  O3  2  0.0000  0.0000  0.0159  1
]