data_[Mn3Tl9Ag9Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1664]
_cell_length_b [8.1664]
_cell_length_c [22.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MnTl3Ag3Cl8]
_chemical_formula_sum '[Mn3 Tl9 Ag9 Cl24]'
_cell_volume [1277.0464]
_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
[
  Mn  Mn0  3  -0.0000  -0.0000  0.0000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  9  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  18  0.0294  0.5147  0.7309  1.0
  Cl  Cl4  6  0.0000  0.0000  0.2669  1.0
]