data_[Ta4In4Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  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 [6.0209]
_cell_length_b [11.0930]
_cell_length_c [7.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2In2PdS6]
_chemical_formula_sum '[Ta4 In4 Pd2 S12]'
_cell_volume [490.4347]
_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
[
  Ta  Ta0  4  0.0000  0.3553  0.5000  1
  In  In1  4  0.0000  0.1690  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2316  0.1863  0.6919  1
  S  S4  4  0.2266  0.5000  0.7083  1
]