data_[Ca4Cu2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  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 [4.9552]
_cell_length_b [5.3376]
_cell_length_c [10.8519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2CuSbO6]
_chemical_formula_sum '[Ca4 Cu2 Sb2 O12]'
_cell_volume [256.8555]
_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  0.2064  0.0459  0.2473  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1612  0.2116  0.9254  1.0
  O  O4  4  0.2320  0.7331  0.9307  1.0
  O  O5  4  0.2994  0.0276  0.6932  1.0
]