data_ZnSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52
_cell_length_b   9.52
_cell_length_c   9.52
_cell_angle_alpha   20.59
_cell_angle_beta   20.59
_cell_angle_gamma   20.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Cl
_chemical_formula_sum   'Zn1 Sb2 Cl1'
_cell_volume   93.45
_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  0.97  1.0
  Sb  Sb1  1  0.0  0.0  0.88  1.0
  Sb  Sb2  1  0.0  0.0  0.06  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZnSb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSb2Cl
_chemical_formula_sum   'Zn2 Sb4 Cl2'
_cell_volume   186.9
_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  0.03  1.0
  Sb  Sb1  2  0.0  0.0  0.12  1.0
  Sb  Sb2  2  0.0  0.0  0.94  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Zn Sb Sb Cl
Zn Sb Sb Cl 0 3 o o + 0 1 o o o 2 3 o o o 