data_Zn3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   147.25
_cell_angle_beta   62.19
_cell_angle_gamma   128.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Sn
_chemical_formula_sum   'Zn3 Sn1'
_cell_volume   76.35
_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
  Zn  Zn1  1  0.0  0.0  0.46  1.0
  Zn  Zn2  1  0.6  0.65  0.65  1.0
  Zn  Zn3  1  0.6  0.35  0.65  1.0
  Sn  Sn0  1  0.0  0.86  0.43  1.0

data_Zn3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.91
_cell_length_c   5.67
_cell_angle_alpha   115.64
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Sn
_chemical_formula_sum   'Zn3 Sn1'
_cell_volume   76.35
_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
  Zn  Zn0  1  0.0  0.54  0.54  1.0
  Zn  Zn1  1  0.05  0.0  0.4  1.0
  Zn  Zn2  1  0.75  0.7  0.1  1.0
  Sn  Sn3  1  0.86  0.43  0.43  1.0

Zn Zn Zn Sn
Zn Zn Zn Sn 0 3 o - o 1 2 o o o 