data_[Na2Mn4Pb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [17.9133]
_cell_length_b [4.1497]
_cell_length_c [8.3688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMn2(PbSe2)3]
_chemical_formula_sum '[Na2 Mn4 Pb6 Se12]'
_cell_volume [605.7951]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.1681  0.0000  0.3343  1.0
  Pb  Pb2  4  0.1618  0.0000  0.8360  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0221  0.0000  0.2551  1.0
  Se  Se5  4  0.1721  0.5000  0.1191  1.0
  Se  Se6  4  0.1786  0.5000  0.5664  1.0
]