data_[Ca4Fe2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.5038]
_cell_length_b [5.5038]
_cell_length_c [7.9874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ca2FeSbO6]
_chemical_formula_sum '[Ca4 Fe2 Sb2 O12]'
_cell_volume [241.9489]
_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  4  0.0000  0.5000  0.2500  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1815  0.6860  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2509  1.0
]