data_ZrCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuSn
_chemical_formula_sum   'Zr1 Cu1 Sn1'
_cell_volume   57.3
_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  0.0  0.56  0.31  1.0
  Cu  Cu0  1  0.0  0.0  0.39  1.0
  Sn  Sn1  1  0.22  0.28  0.67  1.0

data_ZrCuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuSn
_chemical_formula_sum   'Zr1 Cu1 Sn1'
_cell_volume   57.3
_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  0.31  0.0  0.56  1.0
  Cu  Cu1  1  0.39  0.0  0.0  1.0
  Sn  Sn2  1  0.67  0.22  0.28  1.0

Zr Cu Sn
Zr Cu Sn 0 1 o + o 0 2 o o o 1 2 o o o 