data_Ta2TiZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   136.06
_cell_angle_beta   132.08
_cell_angle_gamma   67.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiZn
_chemical_formula_sum   'Ta2 Ti1 Zn1'
_cell_volume   68.39
_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
  Ta  Ta0  1  0.92  0.0  0.16  1.0
  Ta  Ta1  1  0.0  0.08  0.12  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.28  1.0

data_Ta2TiZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.17
_cell_length_c   5.13
_cell_angle_alpha   113.96
_cell_angle_beta   111.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TiZn
_chemical_formula_sum   'Ta2 Ti1 Zn1'
_cell_volume   68.39
_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
  Ta  Ta0  1  0.0  0.16  0.24  1.0
  Ta  Ta1  1  0.92  0.03  0.03  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.28  0.28  1.0

Ta Ta Ti Zn