data_LaTi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.99
_cell_angle_alpha   94.19
_cell_angle_beta   94.19
_cell_angle_gamma   35.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2V
_chemical_formula_sum   'La1 Ti2 V1'
_cell_volume   81.56
_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  0.42  0.0  0.98  1.0
  Ti  Ti1  1  0.72  0.0  0.12  1.0
  Ti  Ti2  1  0.11  0.0  0.85  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_LaTi2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.87
_cell_length_c   5.99
_cell_angle_alpha   94.19
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2V
_chemical_formula_sum   'La1 Ti2 V1'
_cell_volume   81.56
_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  0.58  0.02  1.0
  Ti  Ti1  1  0.0  0.28  0.88  1.0
  Ti  Ti2  1  0.0  0.89  0.15  1.0
  V  V3  1  0.0  0.0  0.0  1.0

La Ti Ti V