data_[Cs6Mn9Ni3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0321]
_cell_length_b [9.0321]
_cell_length_c [21.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Mn3NiCl12]
_chemical_formula_sum '[Cs6 Mn9 Ni3 Cl36]'
_cell_volume [1520.8539]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.3679  1.0
  Mn  Mn1  9  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0714  0.5357  0.8601  1.0
  Cl  Cl4  18  0.0752  0.5376  0.6084  1.0
]