data_[Na8Zr6Pd2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1592]
_cell_length_b [7.3362]
_cell_length_c [7.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Zr3PdS8]
_chemical_formula_sum '[Na8 Zr6 Pd2 S16]'
_cell_volume [647.8609]
_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
  Zr  Zr3  4  0.2500  0.2500  0.5000  1.0
  Zr  Zr4  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0129  0.2435  0.2885  1.0
  S  S7  4  0.2378  0.5000  0.7227  1.0
  S  S8  4  0.2425  0.5000  0.2670  1.0
]