data_TaTi2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.9
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Zn
_chemical_formula_sum   'Ta1 Ti2 Zn1'
_cell_volume   67.61
_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  0.58  0.0  0.58  1.0
  Ti  Ti1  1  0.65  0.0  0.77  1.0
  Ti  Ti2  1  0.08  0.0  0.26  1.0
  Zn  Zn3  1  0.32  0.0  0.38  1.0

data_TaTi2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.9
_cell_length_c   5.05
_cell_angle_alpha   101.42
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi2Zn
_chemical_formula_sum   'Ta1 Ti2 Zn1'
_cell_volume   67.61
_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  0.58  0.58  1.0
  Ti  Ti1  1  0.0  0.26  0.08  1.0
  Ti  Ti2  1  0.0  0.77  0.65  1.0
  Zn  Zn3  1  0.0  0.38  0.32  1.0

Ta Ti Ti Zn