data_TiNbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   142.58
_cell_angle_beta   142.58
_cell_angle_gamma   53.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbIn
_chemical_formula_sum   'Ti1 Nb1 In1'
_cell_volume   56.82
_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  Ti2  1  0.0  0.0  0.47  1.0
  Nb  Nb1  1  0.0  0.0  0.09  1.0
  In  In0  1  0.0  0.0  0.02  1.0

data_TiNbIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   116.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNbIn
_chemical_formula_sum   'Ti2 Nb2 In2'
_cell_volume   113.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.47  0.0  0.47  1.0
  Nb  Nb1  2  0.09  0.0  0.09  1.0
  In  In2  2  0.02  0.0  0.02  1.0

Ti Nb In
Ti Nb In 0 2 o o o 0 1 o o o 1 2 o o o 