data_Ti2NbCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.5
_cell_angle_alpha   110.94
_cell_angle_beta   110.94
_cell_angle_gamma   33.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbCu
_chemical_formula_sum   'Ti2 Nb1 Cu1'
_cell_volume   64.16
_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  0.36  0.0  0.09  1.0
  Ti  Ti3  1  0.19  0.0  0.23  1.0
  Nb  Nb1  1  0.09  0.0  0.2  1.0
  Cu  Cu0  1  0.22  0.0  0.91  1.0

data_Ti2NbCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.5
_cell_length_c   5.25
_cell_angle_alpha   110.94
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbCu
_chemical_formula_sum   'Ti2 Nb1 Cu1'
_cell_volume   64.16
_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  0.0  0.09  0.36  1.0
  Ti  Ti1  1  0.0  0.23  0.19  1.0
  Nb  Nb2  1  0.0  0.2  0.09  1.0
  Cu  Cu3  1  0.0  0.91  0.22  1.0

Ti Ti Nb Cu