data_ZrTiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.82
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   33.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiZn2
_chemical_formula_sum   'Zr1 Ti1 Zn2'
_cell_volume   69.68
_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  0.12  0.0  0.24  1.0
  Ti  Ti0  1  0.2  0.0  0.26  1.0
  Zn  Zn1  1  0.08  0.0  0.11  1.0
  Zn  Zn2  1  0.11  0.0  0.95  1.0

data_ZrTiZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.82
_cell_length_c   5.4
_cell_angle_alpha   113.55
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiZn2
_chemical_formula_sum   'Zr1 Ti1 Zn2'
_cell_volume   69.68
_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  0.24  0.12  1.0
  Ti  Ti1  1  0.0  0.26  0.2  1.0
  Zn  Zn2  1  0.0  0.11  0.08  1.0
  Zn  Zn3  1  0.0  0.95  0.11  1.0

Zr Ti Zn Zn