data_ZnSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Sb
_chemical_formula_sum   'Zn1 Si2 Sb1'
_cell_volume   76.06
_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  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.89  0.0  0.87  1.0
  Si  Si2  1  0.89  0.0  0.81  1.0
  Sb  Sb0  1  0.0  0.0  0.34  1.0

data_ZnSi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Sb
_chemical_formula_sum   'Zn1 Si2 Sb1'
_cell_volume   76.06
_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  Zn0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.89  0.0  0.81  1.0
  Si  Si2  1  0.89  0.0  0.87  1.0
  Sb  Sb3  1  0.0  0.0  0.34  1.0

Zn Si Si Sb
Zn Si Si Sb 0 1 - o - 0 3 o o o 1 2 o o o 3 3 o + o 3 3 + o o 