data_Zn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   142.5
_cell_angle_beta   142.5
_cell_angle_gamma   54.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Sb
_chemical_formula_sum   'Zn2 Sb1'
_cell_volume   61.06
_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  0.72  1.0
  Zn  Zn2  1  0.0  0.0  0.07  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_Zn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   117.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2Sb
_chemical_formula_sum   'Zn4 Sb2'
_cell_volume   122.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.28  1.0
  Zn  Zn1  2  0.0  0.0  0.93  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Zn Zn Sb
Zn Zn Sb 0 2 o o + 1 2 o o o 