data_ZrTa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ti
_chemical_formula_sum   'Zr1 Ta2 Ti1'
_cell_volume   77.28
_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
  Zr  Zr3  1  0.84  0.0  0.0  1.0
  Ta  Ta0  1  0.42  0.62  0.43  1.0
  Ta  Ta1  1  0.42  0.38  0.43  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0

data_ZrTa2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   118.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Ti
_chemical_formula_sum   'Zr1 Ta2 Ti1'
_cell_volume   77.28
_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
  Zr  Zr0  1  0.0  0.84  0.0  1.0
  Ta  Ta1  1  0.43  0.42  0.62  1.0
  Ta  Ta2  1  0.43  0.42  0.38  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

Zr Ta Ta Ti