data_[Mn4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.3686]
_cell_length_b [8.3686]
_cell_length_c [17.6743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [MnCl2]
_chemical_formula_sum '[Mn4 Cl8]'
_cell_volume [1071.9653]
_cell_formula_units_Z [4]
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  3  0.0000  0.5000  0.5234  1
  Mn  Mn1  1  0.0000  0.0000  0.4576  1
  Cl  Cl2  6  0.1972  0.3944  0.4591  1
  Cl  Cl3  2  0.3333  0.6667  0.6089  1
]