data_[Na2Mn10S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6006]
_cell_length_b [3.3686]
_cell_length_c [8.2353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMn5S8]
_chemical_formula_sum '[Na2 Mn10 S16]'
_cell_volume [469.9746]
_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  0.5000  1
  Mn  Mn1  4  0.1543  0.5000  0.9809  1
  Mn  Mn2  4  0.2043  0.5000  0.3363  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0728  0.5000  0.1640  1
  S  S5  4  0.0813  0.0000  0.8120  1
  S  S6  4  0.1692  0.0000  0.4923  1
  S  S7  4  0.2400  0.0000  0.1576  1
]