data_[Ca4La4Fe4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [5.5129]
_cell_length_b [12.4030]
_cell_length_c [5.5074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [CaLaFeO4]
_chemical_formula_sum '[Ca4 La4 Fe4 O16]'
_cell_volume [376.5718]
_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
[
  Ca  Ca0  4  0.0000  0.1046  0.2500  1
  La  La1  4  0.0000  0.3918  0.2500  1
  Fe  Fe2  4  0.0000  0.2458  0.7500  1
  O  O3  8  0.2175  0.2467  0.4674  1
  O  O4  4  0.0000  0.0796  0.7500  1
  O  O5  4  0.0000  0.4223  0.7500  1
]