data_[Ca4In2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5910]
_cell_length_b [5.7827]
_cell_length_c [9.7655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2InSbO6]
_chemical_formula_sum '[Ca4 In2 Sb2 O12]'
_cell_volume [259.4038]
_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  0.2677  0.5546  0.7522  1.0
  In  In1  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1288  0.5454  0.2383  1.0
  O  O4  4  0.2468  0.2123  0.0619  1.0
  O  O5  4  0.3459  0.6897  0.0534  1.0
]