data_ZrTiZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiZn
_chemical_formula_sum   'Zr1 Ti1 Zn1'
_cell_volume   56.57
_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  Zr2  1  0.27  0.31  0.09  1.0
  Ti  Ti0  1  0.0  0.0  0.48  1.0
  Zn  Zn1  1  0.0  0.62  0.59  1.0

data_ZrTiZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiZn
_chemical_formula_sum   'Zr1 Ti1 Zn1'
_cell_volume   56.57
_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  0.09  0.27  0.31  1.0
  Ti  Ti1  1  0.48  0.0  0.0  1.0
  Zn  Zn2  1  0.59  0.0  0.62  1.0

Zr Ti Zn