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/c]
_cell_length_a [7.2580]
_cell_length_b [7.1097]
_cell_length_c [11.6821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaPS3]
_chemical_formula_sum '[Na4 P4 S12]'
_cell_volume [528.9242]
_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  0.2546  0.6063  0.2445  1
  P  P1  4  0.3483  0.0886  0.3721  1
  S  S2  4  0.1546  0.2089  0.8654  1
  S  S3  4  0.3284  0.6481  0.9830  1
  S  S4  4  0.3310  0.0060  0.2051  1
]