data_[La4Ti2Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5445]
_cell_length_b [5.6454]
_cell_length_c [9.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2TiCrO6]
_chemical_formula_sum '[La4 Ti2 Cr2 O12]'
_cell_volume [260.3971]
_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
[
  La  La0  4  0.2675  0.5420  0.2527  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.5000  0.0000  0.5000  1.0
  O  O3  4  0.1280  0.5326  0.7263  1.0
  O  O4  4  0.2645  0.2188  0.5578  1.0
  O  O5  4  0.3289  0.7080  0.5473  1.0
]