data_Ti2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.39
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VIn
_chemical_formula_sum   'Ti2 V1 In1'
_cell_volume   68.94
_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
  Ti  Ti1  1  0.5  0.19  0.31  1.0
  Ti  Ti2  1  0.06  0.19  0.19  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.78  0.0  0.75  1.0

data_Ti2VIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.39
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VIn
_chemical_formula_sum   'Ti2 V1 In1'
_cell_volume   68.94
_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
  Ti  Ti0  1  0.06  0.19  0.19  1.0
  Ti  Ti1  1  0.5  0.19  0.31  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.78  0.0  0.75  1.0

Ti Ti V In
Ti Ti V In 0 1 o o o 1 2 o o o 2 3 - o - 