data_[Ca2La2Cr2Fe2O12]
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
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5015]
_cell_length_b [5.5388]
_cell_length_c [9.4590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLaCrFeO6]
_chemical_formula_sum '[Ca2 La2 Cr2 Fe2 O12]'
_cell_volume [235.2500]
_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  0.2390  0.2086  0.2496  1.0
  La  La1  2  0.7601  0.2817  0.7516  1.0
  Cr  Cr2  2  0.5014  0.2492  0.0010  1.0
  Fe  Fe3  2  0.0006  0.2503  0.4999  1.0
  O  O4  2  0.1770  0.0332  0.9597  1.0
  O  O5  2  0.2539  0.4706  0.4584  1.0
  O  O6  2  0.3268  0.2315  0.7561  1.0
  O  O7  2  0.6637  0.2650  0.2431  1.0
  O  O8  2  0.7469  0.0263  0.5371  1.0
  O  O9  2  0.8307  0.4623  0.0435  1.0
]