data_[Ga4Pd16S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [15.0306]
_cell_length_b [4.2390]
_cell_length_c [5.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Pd8S]
_chemical_formula_sum '[Ga4 Pd16 S2]'
_cell_volume [337.0895]
_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
[
  Ga  Ga0  4  0.1831  0.0000  0.7166  1
  Pd  Pd1  4  0.0215  0.0000  0.7698  1
  Pd  Pd2  4  0.0987  0.5000  0.4301  1
  Pd  Pd3  4  0.1524  0.5000  0.9547  1
  Pd  Pd4  4  0.2076  0.0000  0.2939  1
  S  S5  2  0.0000  0.5000  0.0000  1
]