data_[Na4Zr4Pd2S12]
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 [6.4122]
_cell_length_b [11.0881]
_cell_length_c [7.1042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Zr2PdS6]
_chemical_formula_sum '[Na4 Zr4 Pd2 S12]'
_cell_volume [485.6650]
_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  0.0000  0.1591  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3235  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2472  0.3303  0.2761  1.0
  S  S4  4  0.2476  0.5000  0.6954  1.0
]