data_La2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.8
_cell_angle_alpha   101.4
_cell_angle_beta   101.4
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiV
_chemical_formula_sum   'La2 Ti1 V1'
_cell_volume   93.48
_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  0.49  0.0  0.22  1.0
  La  La1  1  0.07  0.0  0.45  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.28  0.0  0.84  1.0

data_La2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.17
_cell_length_c   5.8
_cell_angle_alpha   101.4
_cell_angle_beta   90.0
_cell_angle_gamma   109.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiV
_chemical_formula_sum   'La2 Ti1 V1'
_cell_volume   93.48
_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  0.0  0.51  0.78  1.0
  La  La1  1  0.0  0.93  0.55  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.72  0.16  1.0

La La Ti V