data_[Na3In3P6S24]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0125]
_cell_length_b [6.0125]
_cell_length_c [26.5009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaIn(PS4)2]
_chemical_formula_sum '[Na3 In3 P6 S24]'
_cell_volume [829.6598]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  In  In1  3  0.0000  0.0000  0.0000  1
  P  P2  6  0.0000  0.0000  0.2524  1
  S  S3  18  0.0101  0.3649  0.0596  1
  S  S4  6  0.0000  0.0000  0.1755  1
]