data_TiInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   146.01
_cell_angle_beta   129.21
_cell_angle_gamma   62.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInCu2
_chemical_formula_sum   'Ti1 In1 Cu2'
_cell_volume   63.13
_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  Ti3  1  0.0  0.0  0.86  1.0
  In  In2  1  0.54  0.0  0.39  1.0
  Cu  Cu0  1  0.54  0.0  0.14  1.0
  Cu  Cu1  1  0.0  0.0  0.15  1.0

data_TiInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.53
_cell_length_c   5.28
_cell_angle_alpha   115.4
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInCu2
_chemical_formula_sum   'Ti1 In1 Cu2'
_cell_volume   63.13
_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  0.86  0.86  1.0
  In  In1  1  0.0  0.39  0.85  1.0
  Cu  Cu2  1  0.0  0.14  0.6  1.0
  Cu  Cu3  1  0.0  0.15  0.15  1.0

Ti In Cu Cu