data_[Na4Mg4P4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6424]
_cell_length_b [11.5608]
_cell_length_c [7.4417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaMgPS4]
_chemical_formula_sum '[Na4 Mg4 P4 S16]'
_cell_volume [657.4945]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.1303  0.2500  1.0
  P  P2  4  0.0000  0.1421  0.7500  1.0
  S  S3  8  0.0000  0.2497  0.5309  1.0
  S  S4  8  0.2130  0.0304  0.7500  1.0
]