data_Ti2CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.16
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrIn
_chemical_formula_sum   'Ti2 Cr1 In1'
_cell_volume   66.58
_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  0.65  0.08  0.36  1.0
  Ti  Ti3  1  0.83  0.08  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.3  0.0  0.77  1.0

data_Ti2CrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.16
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrIn
_chemical_formula_sum   'Ti2 Cr1 In1'
_cell_volume   66.58
_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  0.65  0.08  0.36  1.0
  Ti  Ti1  1  0.83  0.08  0.18  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.3  0.0  0.77  1.0

Ti Ti Cr In