data_CoSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.56
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Cl
_chemical_formula_sum   'Co1 Sb2 Cl1'
_cell_volume   96.34
_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
  Co  Co1  1  0.57  0.78  0.93  1.0
  Sb  Sb2  1  0.0  0.0  0.08  1.0
  Sb  Sb3  1  0.57  0.78  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.66  1.0

data_CoSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.56
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Cl
_chemical_formula_sum   'Co1 Sb2 Cl1'
_cell_volume   96.34
_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
  Co  Co0  1  0.57  0.78  0.93  1.0
  Sb  Sb1  1  0.0  0.0  0.08  1.0
  Sb  Sb2  1  0.57  0.78  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.66  1.0

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