data_[Mn6Ag18Br36]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8872]
_cell_length_b [11.8872]
_cell_length_c [13.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn(AgBr2)3]
_chemical_formula_sum '[Mn6 Ag18 Br36]'
_cell_volume [1663.4882]
_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  0.0494  0.2803  0.6972  1.0
  Br  Br3  18  0.0100  0.1898  0.8931  1.0
  Br  Br4  18  0.0180  0.1840  0.3878  1.0
]