data_[Na4Ga2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.9971]
_cell_length_b [7.5912]
_cell_length_c [5.9175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2GaAsS4]
_chemical_formula_sum '[Na4 Ga2 As2 S8]'
_cell_volume [404.1592]
_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  0.2425  0.3335  0.4530  1.0
  Ga  Ga1  2  0.0000  0.1467  0.9909  1.0
  As  As2  2  0.0000  0.8180  0.4844  1.0
  S  S3  4  0.2155  0.2960  0.9317  1.0
  S  S4  2  0.0000  0.1027  0.3880  1.0
  S  S5  2  0.0000  0.8535  0.8673  1.0
]