data_[Na2Mn4Sn6Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7161]
_cell_length_b [4.0724]
_cell_length_c [8.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMn2(SnSe2)3]
_chemical_formula_sum '[Na2 Mn4 Sn6 Se12]'
_cell_volume [581.3612]
_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  0.1683  0.0000  0.3353  1.0
  Sn  Sn2  4  0.1646  0.0000  0.8340  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0195  0.0000  0.2610  1.0
  Se  Se5  4  0.1732  0.5000  0.1156  1.0
  Se  Se6  4  0.1745  0.5000  0.5709  1.0
]