data_[Na4P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8630]
_cell_length_b [8.0834]
_cell_length_c [9.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaPS3]
_chemical_formula_sum '[Na4 P4 S12]'
_cell_volume [508.7690]
_cell_formula_units_Z [4]
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  0.3178  0.5163  0.7018  1.0
  P  P1  2  0.2053  0.2500  0.3670  1.0
  P  P2  2  0.3334  0.2500  0.0646  1.0
  S  S3  4  0.2327  0.0566  0.2094  1.0
  S  S4  2  0.0528  0.7500  0.5394  1.0
  S  S5  2  0.1754  0.2500  0.8816  1.0
  S  S6  2  0.3768  0.7500  0.9436  1.0
  S  S7  2  0.4390  0.2500  0.5042  1.0
]