data_[Na8Pr6Ga2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1275]
_cell_length_b [8.0761]
_cell_length_c [8.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Pr3GaS8]
_chemical_formula_sum '[Na8 Pr6 Ga2 S16]'
_cell_volume [767.3929]
_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  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr3  4  0.2500  0.2500  0.5000  1.0
  Pr  Pr4  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0020  0.2206  0.2833  1.0
  S  S7  4  0.2444  0.5000  0.7371  1.0
  S  S8  4  0.2500  0.5000  0.2564  1.0
]