data_[Na4Mg2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6504]
_cell_length_b [7.6990]
_cell_length_c [6.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2MgSiS4]
_chemical_formula_sum '[Na4 Mg2 Si2 S8]'
_cell_volume [388.2428]
_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  0.2420  0.3353  0.0077  1.0
  Mg  Mg1  2  0.0000  0.1314  0.5045  1.0
  Si  Si2  2  0.0000  0.8375  0.9992  1.0
  S  S3  4  0.2303  0.6920  0.0870  1.0
  S  S4  2  0.0000  0.0905  0.1305  1.0
  S  S5  2  0.0000  0.8527  0.6765  1.0
]