data_[La2Mg1Fe1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4651]
_cell_length_b [5.5311]
_cell_length_c [5.5740]
_cell_angle_alpha [118.6473]
_cell_angle_beta [90.1232]
_cell_angle_gamma [118.8676]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2MgFeO6]
_chemical_formula_sum '[La2 Mg1 Fe1 O6]'
_cell_volume [123.3653]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2550  0.5077  0.7582  1.0
  Mg  Mg1  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1796  0.8980  0.1981  1.0
  O  O4  2  0.2568  0.5023  0.3362  1.0
  O  O5  2  0.2986  0.0861  0.8189  1.0
]