data_[Na4Mn4Sn2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2964]
_cell_length_b [10.8667]
_cell_length_c [7.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Mn2SnS6]
_chemical_formula_sum '[Na4 Mn4 Sn2 S12]'
_cell_volume [461.3866]
_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  0.1639  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3341  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2327  0.1826  0.6984  1.0
  S  S4  4  0.2029  0.5000  0.6968  1.0
]