data_[Ca2La2Mn2Fe2O12]
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
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5183]
_cell_length_b [5.4760]
_cell_length_c [9.4684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaLaMnFeO6]
_chemical_formula_sum '[Ca2 La2 Mn2 Fe2 O12]'
_cell_volume [233.1931]
_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  0.2624  0.2610  0.7506  1.0
  La  La1  2  0.7429  0.2421  0.2496  1.0
  Mn  Mn2  2  0.5003  0.2500  0.5005  1.0
  Fe  Fe3  2  0.9997  0.2499  0.9994  1.0
  O  O4  2  0.1792  0.2549  0.2544  1.0
  O  O5  2  0.2868  0.0151  0.5440  1.0
  O  O6  2  0.3030  0.4969  0.0428  1.0
  O  O7  2  0.6898  0.0080  0.9565  1.0
  O  O8  2  0.7075  0.4907  0.4569  1.0
  O  O9  2  0.8284  0.2460  0.7454  1.0
]