data_Ti2NbCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.46
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbCu
_chemical_formula_sum   'Ti2 Nb1 Cu1'
_cell_volume   64.49
_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  0.22  0.23  0.85  1.0
  Ti  Ti3  1  0.87  0.23  0.34  1.0
  Nb  Nb1  1  0.05  0.0  0.6  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Ti2NbCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.46
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbCu
_chemical_formula_sum   'Ti2 Nb1 Cu1'
_cell_volume   64.49
_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  0.22  0.23  0.85  1.0
  Ti  Ti1  1  0.87  0.23  0.34  1.0
  Nb  Nb2  1  0.05  0.0  0.6  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ti Ti Nb Cu