data_[K2Mn4Pb6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0077]
_cell_length_b [4.2180]
_cell_length_c [8.6409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMn2(PbSe2)3]
_chemical_formula_sum '[K2 Mn4 Pb6 Se12]'
_cell_volume [645.4595]
_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  0.5000  0.0000  1
  Mn  Mn1  4  0.1730  0.0000  0.3220  1
  Pb  Pb2  4  0.1628  0.0000  0.8204  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0323  0.0000  0.2780  1
  Se  Se5  4  0.1786  0.5000  0.1328  1
  Se  Se6  4  0.1794  0.5000  0.5799  1
]