data_ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn
_chemical_formula_sum   'Zr2 Sn2'
_cell_volume   99.06
_cell_formula_units_Z   2
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  0.65  0.95  0.02  1.0
  Zr  Zr3  1  0.0  0.9  0.5  1.0
  Sn  Sn0  1  0.65  0.95  0.06  1.0
  Sn  Sn1  1  0.0  0.9  0.46  1.0

data_ZrSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrSn
_chemical_formula_sum   'Zr2 Sn2'
_cell_volume   99.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.32  0.52  0.76  1.0
  Sn  Sn1  2  0.32  0.52  0.8  1.0

Zr Zr Sn Sn
Zr Zr Sn Sn 0 2 o o o 1 3 o o o 