data_[Mn6Ag18Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.1556]
_cell_length_b [11.1556]
_cell_length_c [13.4435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn(AgCl2)3]
_chemical_formula_sum '[Mn6 Ag18 Cl36]'
_cell_volume [1448.8674]
_cell_formula_units_Z [6]
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  0.0000  0.0000  1.0
  Mn  Mn1  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  18  0.0429  0.7767  0.7074  1.0
  Cl  Cl3  18  0.0150  0.8288  0.3906  1.0
  Cl  Cl4  18  0.0230  0.8375  0.8999  1.0
]