data_[Na6Sm4Mn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7815]
_cell_length_b [11.8763]
_cell_length_c [7.0524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sm2MnS6]
_chemical_formula_sum '[Na6 Sm4 Mn2 S12]'
_cell_volume [539.1690]
_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  4  0.0000  0.1675  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3308  0.0000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2347  0.1563  0.2289  1.0
  S  S5  4  0.2222  0.0000  0.7923  1.0
]