data_[Na10In4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2168]
_cell_length_b [4.0007]
_cell_length_c [11.5355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5In2S5]
_chemical_formula_sum '[Na10 In4 S10]'
_cell_volume [579.6816]
_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  0.1568  0.5000  0.0519  1
  Na  Na1  4  0.2395  0.5000  0.3655  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  In  In3  4  0.0425  0.0000  0.7903  1
  S  S4  4  0.1058  0.0000  0.4030  1
  S  S5  4  0.1756  0.5000  0.8003  1
  S  S6  2  0.0000  0.0000  0.0000  1
]