data_TiCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   148.59
_cell_angle_beta   128.86
_cell_angle_gamma   61.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Ag
_chemical_formula_sum   'Ti1 Cu2 Ag1'
_cell_volume   57.77
_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  0.63  1.0
  Cu  Cu1  1  0.0  0.0  0.87  1.0
  Cu  Cu2  1  0.0  0.26  0.38  1.0
  Ag  Ag0  1  0.42  0.0  0.14  1.0

data_TiCu2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.52
_cell_length_c   5.24
_cell_angle_alpha   115.57
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Ag
_chemical_formula_sum   'Ti1 Cu2 Ag1'
_cell_volume   57.77
_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  0.37  0.37  0.37  1.0
  Cu  Cu1  1  0.13  0.13  0.13  1.0
  Cu  Cu2  1  0.62  0.88  0.88  1.0
  Ag  Ag3  1  0.28  0.86  0.28  1.0

Ti Cu Cu Ag