data_YTi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.76
_cell_angle_alpha   95.33
_cell_angle_beta   95.33
_cell_angle_gamma   34.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2V
_chemical_formula_sum   'Y1 Ti2 V1'
_cell_volume   78.19
_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
  Y  Y3  1  0.37  0.0  0.87  1.0
  Ti  Ti0  1  0.01  0.0  0.62  1.0
  Ti  Ti1  1  0.73  0.0  0.11  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_YTi2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.88
_cell_length_c   5.76
_cell_angle_alpha   95.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2V
_chemical_formula_sum   'Y1 Ti2 V1'
_cell_volume   78.19
_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
  Y  Y0  1  0.0  0.63  0.13  1.0
  Ti  Ti1  1  0.0  0.27  0.89  1.0
  Ti  Ti2  1  0.0  0.99  0.38  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Y Ti Ti V
Y Ti Ti V 0 1 o o o 0 3 o o + 0 2 o o + 1 3 o o + 2 3 + o o 