data_[La1Ti1V1O6]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.1256]
_cell_length_b [5.1256]
_cell_length_c [5.2083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [LaTiVO6]
_chemical_formula_sum '[La1 Ti1 V1 O6]'
_cell_volume [118.4991]
_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  1  0.3333  0.6667  0.0106  1.0
  Ti  Ti1  1  0.6667  0.3333  0.4587  1.0
  V  V2  1  0.0000  0.0000  0.5385  1.0
  O  O3  3  0.3234  0.0371  0.7072  1.0
  O  O4  3  0.3237  0.2870  0.2902  1.0
]