data_[Th12Os4Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  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 [18.4682]
_cell_length_b [4.0938]
_cell_length_c [8.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Os2PdS3]
_chemical_formula_sum '[Th12 Os4 Pd2 S6]'
_cell_volume [618.0042]
_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
[
  Th  Th0  4  0.0062  0.0000  0.2523  1
  Th  Th1  4  0.1660  0.5000  0.1008  1
  Th  Th2  4  0.1727  0.5000  0.5693  1
  Os  Os3  4  0.1652  0.0000  0.3300  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1655  0.0000  0.8341  1
  S  S6  2  0.0000  0.5000  0.5000  1
]