data_ZnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   9.07
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn3
_chemical_formula_sum   'Zn4 Sn12'
_cell_volume   401.91
_cell_formula_units_Z   4
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
  Zn  Zn12  1  0.1  0.8  0.44  1.0
  Zn  Zn13  1  0.04  0.27  0.16  1.0
  Zn  Zn14  1  0.72  0.8  0.39  1.0
  Zn  Zn15  1  0.66  0.27  0.11  1.0
  Sn  Sn0  1  0.72  0.8  0.63  1.0
  Sn  Sn1  1  0.43  0.27  0.91  1.0
  Sn  Sn2  1  0.34  0.8  0.65  1.0
  Sn  Sn3  1  0.04  0.27  0.93  1.0
  Sn  Sn4  1  0.36  0.62  0.43  1.0
  Sn  Sn5  1  0.02  0.45  0.15  1.0
  Sn  Sn6  1  0.74  0.98  0.41  1.0
  Sn  Sn7  1  0.4  0.09  0.13  1.0
  Sn  Sn8  1  0.4  0.45  0.13  1.0
  Sn  Sn9  1  0.74  0.62  0.41  1.0
  Sn  Sn10  1  0.02  0.09  0.15  1.0
  Sn  Sn11  1  0.36  0.98  0.43  1.0

data_ZnSn3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.56
_cell_length_b   6.76
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnSn3
_chemical_formula_sum   'Zn4 Sn12'
_cell_volume   401.91
_cell_formula_units_Z   4
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
  Zn  Zn0  2  0.11  0.34  0.77  1.0
  Zn  Zn1  2  0.16  0.72  0.77  1.0
  Sn  Sn2  2  0.13  0.36  0.95  1.0
  Sn  Sn3  2  0.13  0.36  0.59  1.0
  Sn  Sn4  2  0.15  0.98  0.95  1.0
  Sn  Sn5  2  0.15  0.98  0.59  1.0
  Sn  Sn6  2  0.35  0.34  0.77  1.0
  Sn  Sn7  2  0.37  0.96  0.77  1.0

Zn Zn Zn Zn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn