data_[Tc2Pd1S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8636]
_cell_length_b [8.2678]
_cell_length_c [8.4666]
_cell_angle_alpha [61.1496]
_cell_angle_beta [86.5713]
_cell_angle_gamma [80.1814]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tc2Pd(S2Br)2]
_chemical_formula_sum '[Tc2 Pd1 S4 Br2]'
_cell_volume [233.3348]
_cell_formula_units_Z [1]
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
[
  Tc  Tc0  2  0.4654  0.9948  0.2296  1
  Pd  Pd1  1  0.0000  0.0000  0.0000  1
  S  S2  2  0.3682  0.2402  0.2684  1
  S  S3  2  0.4898  0.7567  0.5008  1
  Br  Br4  2  0.2867  0.2778  0.8693  1
]