data_[Mn4Nb4Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  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 [5.8478]
_cell_length_b [11.4315]
_cell_length_c [6.2180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Nb2PdS6]
_chemical_formula_sum '[Mn4 Nb4 Pd2 S12]'
_cell_volume [402.8128]
_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
[
  Mn  Mn0  4  0.0000  0.1601  0.0000  1
  Nb  Nb1  4  0.0000  0.3723  0.5000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2485  0.1977  0.7407  1
  S  S4  4  0.2454  0.0000  0.2277  1
]