data_Zn3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Sb
_chemical_formula_sum   'Zn6 Sb2'
_cell_volume   166.05
_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
  Zn  Zn2  1  0.75  0.51  0.17  1.0
  Zn  Zn3  1  0.75  0.49  0.06  1.0
  Zn  Zn4  1  0.52  0.23  0.17  1.0
  Zn  Zn5  1  0.99  0.77  0.06  1.0
  Zn  Zn6  1  0.99  0.23  0.17  1.0
  Zn  Zn7  1  0.52  0.77  0.06  1.0
  Sb  Sb0  1  0.75  0.09  0.06  1.0
  Sb  Sb1  1  0.75  0.91  0.17  1.0

data_Zn3Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   108.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn3Sb
_chemical_formula_sum   'Zn6 Sb2'
_cell_volume   166.05
_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
  Zn  Zn0  2  0.06  0.27  0.23  1.0
  Zn  Zn1  2  0.06  0.5  0.51  1.0
  Zn  Zn2  2  0.06  0.73  0.23  1.0
  Sb  Sb3  2  0.06  0.5  0.91  1.0

Zn Zn Zn Zn Zn Zn Sb Sb
Zn Zn Zn Zn Zn Zn Sb Sb 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 6 o o o 3 7 o o o 4 6 o o o 5 7 o o o 6 7 o - o 