data_[Mn1S4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0863]
_cell_length_b [7.1660]
_cell_length_c [7.6488]
_cell_angle_alpha [89.6537]
_cell_angle_beta [63.2511]
_cell_angle_gamma [61.1315]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn(S2Cl3)2]
_chemical_formula_sum '[Mn1 S4 Cl6]'
_cell_volume [292.4506]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.1265  0.3319  0.3141  1.0
  S  S2  2  0.2321  0.4068  0.4982  1.0
  Cl  Cl3  2  0.1296  0.8921  0.2229  1.0
  Cl  Cl4  2  0.2048  0.6328  0.8379  1.0
  Cl  Cl5  2  0.3529  0.0093  0.7976  1.0
]