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 [P-1]
_cell_length_a [5.6059]
_cell_length_b [5.7231]
_cell_length_c [7.8650]
_cell_angle_alpha [89.7313]
_cell_angle_beta [88.9532]
_cell_angle_gamma [89.1855]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2TiCrO6]
_chemical_formula_sum '[La4 Ti2 Cr2 O12]'
_cell_volume [252.2623]
_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  2  0.0091  0.4966  0.7539  1.0
  La  La1  2  0.4952  0.9984  0.2505  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  Ti  Ti3  1  0.5000  0.5000  0.5000  1.0
  Cr  Cr4  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr5  1  0.5000  0.5000  0.0000  1.0
  O  O6  2  0.0032  0.0734  0.7562  1.0
  O  O7  2  0.2086  0.3297  0.4638  1.0
  O  O8  2  0.2263  0.7239  0.9655  1.0
  O  O9  2  0.2738  0.2286  0.0424  1.0
  O  O10  2  0.3124  0.8024  0.5312  1.0
  O  O11  2  0.4820  0.4244  0.7512  1.0
]