data_[Tc2H2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8469]
_cell_length_b [3.9628]
_cell_length_c [5.6919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TcHPd]
_chemical_formula_sum '[Tc2 H2 Pd2]'
_cell_volume [64.2141]
_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
[
  Tc  Tc0  1  0.0000  0.5000  0.4966  1
  Tc  Tc1  1  0.5000  0.0000  0.7144  1
  Pd  Pd2  1  0.0000  0.5000  0.9813  1
  Pd  Pd3  1  0.5000  0.0000  0.2263  1
  H  H4  1  0.5000  0.5000  0.2741  1
  H  H5  1  0.5000  0.5000  0.7175  1
]