data_[Mn3Ag6Pb3I18]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7071]
_cell_length_b [7.7071]
_cell_length_c [21.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnAg2PbI6]
_chemical_formula_sum '[Mn3 Ag6 Pb3 I18]'
_cell_volume [1118.7415]
_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  0.3283  1.0
  Ag  Ag1  3  0.0000  0.0000  0.5829  1.0
  Ag  Ag2  3  0.0000  0.0000  0.9967  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8094  1.0
  I  I4  9  0.0302  0.6797  0.0682  1.0
  I  I5  9  0.0354  0.3483  0.9126  1.0
]