data_MnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.44
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCl
_chemical_formula_sum   'Mn2 Cl2'
_cell_volume   66.41
_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
  Mn  Mn2  1  0.0  0.0  0.52  1.0
  Mn  Mn3  1  0.44  0.72  0.2  1.0
  Cl  Cl0  1  0.0  0.0  0.98  1.0
  Cl  Cl1  1  0.44  0.72  0.74  1.0

data_MnCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.87
_cell_length_b   3.44
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnCl
_chemical_formula_sum   'Mn2 Cl2'
_cell_volume   66.41
_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
  Mn  Mn0  2  0.22  0.36  0.84  1.0
  Cl  Cl1  2  0.22  0.36  0.38  1.0

Mn Mn Cl Cl