data_[Mn9Sn6Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4020]
_cell_length_b [7.4020]
_cell_length_c [20.2966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn3Sn2PbS8]
_chemical_formula_sum '[Mn9 Sn6 Pb3 S24]'
_cell_volume [963.0472]
_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  9  0.1668  0.3337  0.3341  1.0
  Sn  Sn1  3  0.0000  0.0000  0.4976  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8709  1.0
  Pb  Pb3  3  0.0000  0.0000  0.1359  1.0
  S  S4  9  0.0258  0.5129  0.2630  1.0
  S  S5  9  0.1819  0.3638  0.0698  1.0
  S  S6  3  0.0000  0.0000  0.2780  1.0
  S  S7  3  0.0000  0.0000  0.7240  1.0
]