data_[Ca2La2Fe2W2O12]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6168]
_cell_length_b [5.8003]
_cell_length_c [8.0010]
_cell_angle_alpha [90.1908]
_cell_angle_beta [90.7279]
_cell_angle_gamma [91.5227]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaLaFeWO6]
_chemical_formula_sum '[Ca2 La2 Fe2 W2 O12]'
_cell_volume [260.5495]
_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  1  0.0180  0.9472  0.2472  1.0
  Ca  Ca1  1  0.5258  0.5532  0.7482  1.0
  La  La2  1  0.4747  0.4508  0.2523  1.0
  La  La3  1  0.9841  0.0476  0.7532  1.0
  Fe  Fe4  1  0.4990  0.0008  0.4997  1.0
  Fe  Fe5  1  0.9973  0.5003  0.9995  1.0
  W  W6  1  0.5010  0.9969  0.0016  1.0
  W  W7  1  0.9996  0.5029  0.5012  1.0
  O  O8  1  0.1073  0.4701  0.7329  1.0
  O  O9  1  0.1917  0.2189  0.4385  1.0
  O  O10  1  0.2122  0.1927  0.0506  1.0
  O  O11  1  0.2917  0.7081  0.4483  1.0
  O  O12  1  0.2958  0.7101  0.0582  1.0
  O  O13  1  0.4019  0.9626  0.7665  1.0
  O  O14  1  0.6059  0.0310  0.2336  1.0
  O  O15  1  0.7005  0.2881  0.9411  1.0
  O  O16  1  0.7050  0.2997  0.5508  1.0
  O  O17  1  0.7866  0.7995  0.9490  1.0
  O  O18  1  0.8032  0.7828  0.5607  1.0
  O  O19  1  0.8986  0.5366  0.2668  1.0
]