data_[K4Mn2Pb2S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1711]
_cell_length_b [8.5955]
_cell_length_c [7.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K2MnPbS4]
_chemical_formula_sum '[K4 Mn2 Pb2 S8]'
_cell_volume [452.3754]
_cell_formula_units_Z [2]
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  2  0.0000  0.5475  0.5000  1.0
  K  K1  2  0.0000  0.8180  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0098  0.5000  1.0
  Pb  Pb3  2  0.0000  0.3014  0.0000  1.0
  S  S4  4  0.1633  0.1040  0.8664  1.0
  S  S5  4  0.2056  0.8640  0.5296  1.0
]