data_[Cs12La4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1269]
_cell_length_b [13.3103]
_cell_length_c [7.9142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3LaO3]
_chemical_formula_sum '[Cs12 La4 O12]'
_cell_volume [845.8576]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.2192  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2580  0.0000  1.0
  Cs  Cs2  4  0.1487  0.5000  0.3537  1.0
  La  La3  4  0.1826  0.0000  0.1567  1.0
  O  O4  8  0.1816  0.3619  0.7334  1.0
  O  O5  4  0.1073  0.0000  0.8587  1.0
]