data_ZrAl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.89
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Sn
_chemical_formula_sum   'Zr1 Al2 Sn1'
_cell_volume   80.59
_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  0.74  0.0  0.32  1.0
  Al  Al0  1  0.28  0.44  0.02  1.0
  Al  Al1  1  0.17  0.0  0.22  1.0
  Sn  Sn2  1  0.23  0.44  0.71  1.0

data_ZrAl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.89
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Sn
_chemical_formula_sum   'Zr1 Al2 Sn1'
_cell_volume   80.59
_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  0.74  0.0  0.32  1.0
  Al  Al1  1  0.17  0.0  0.22  1.0
  Al  Al2  1  0.28  0.44  0.02  1.0
  Sn  Sn3  1  0.23  0.44  0.71  1.0

Zr Al Al Sn
Zr Al Al Sn 0 2 + o o 1 3 o o - 