data_[Ca4La2Sb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7249]
_cell_length_b [5.9340]
_cell_length_c [10.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ca2LaSbO6]
_chemical_formula_sum '[Ca4 La2 Sb2 O12]'
_cell_volume [280.6931]
_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  2  0.2656  0.3003  0.2522  1.0
  Ca  Ca1  2  0.5003  0.2533  0.0009  1.0
  La  La2  2  0.7336  0.1986  0.7480  1.0
  Sb  Sb3  2  0.9988  0.2504  0.4991  1.0
  O  O4  2  0.1173  0.3012  0.7294  1.0
  O  O5  2  0.2407  0.0323  0.0655  1.0
  O  O6  2  0.3395  0.4312  0.5539  1.0
  O  O7  2  0.6592  0.0691  0.4459  1.0
  O  O8  2  0.7605  0.4663  0.9349  1.0
  O  O9  2  0.8845  0.2023  0.2702  1.0
]