data_[Ca2La2Fe2Cu2O12]
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
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5250]
_cell_length_b [5.5314]
_cell_length_c [9.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLaFeCuO6]
_chemical_formula_sum '[Ca2 La2 Fe2 Cu2 O12]'
_cell_volume [232.7118]
_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  0.7593  0.2067  0.7505  1.0
  La  La1  2  0.2434  0.2807  0.2494  1.0
  Fe  Fe2  2  0.9998  0.2499  0.5005  1.0
  Cu  Cu3  2  0.4999  0.2509  0.9996  1.0
  O  O4  2  0.1679  0.4679  0.9583  1.0
  O  O5  2  0.2393  0.0324  0.4629  1.0
  O  O6  2  0.3376  0.2667  0.7553  1.0
  O  O7  2  0.6725  0.2291  0.2445  1.0
  O  O8  2  0.7593  0.4616  0.5423  1.0
  O  O9  2  0.8209  0.0270  0.0366  1.0
]