data_[K9Mn3Ag9Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5777]
_cell_length_b [8.5777]
_cell_length_c [22.3796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3MnAg3Br8]
_chemical_formula_sum '[K9 Mn3 Ag9 Br24]'
_cell_volume [1426.0061]
_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
[
  K  K0  9  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  3  -0.0000  -0.0000  0.0000  1.0
  Ag  Ag2  9  0.0000  0.5000  0.0000  1.0
  Br  Br3  18  0.0242  0.5121  0.7336  1.0
  Br  Br4  6  0.0000  0.0000  0.2645  1.0
]