data_SiTc2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   145.22
_cell_angle_beta   128.4
_cell_angle_gamma   63.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Pd
_chemical_formula_sum   'Si1 Tc2 Pd1'
_cell_volume   56.09
_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
  Si  Si1  1  0.0  0.0  0.4  1.0
  Tc  Tc2  1  0.0  0.19  0.09  1.0
  Tc  Tc3  1  0.0  0.0  0.09  1.0
  Pd  Pd0  1  0.0  0.19  0.23  1.0

data_SiTc2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.37
_cell_length_c   5.03
_cell_angle_alpha   115.8
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Pd
_chemical_formula_sum   'Si1 Tc2 Pd1'
_cell_volume   56.09
_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
  Si  Si0  1  0.6  0.6  0.6  1.0
  Tc  Tc1  1  0.91  0.91  0.91  1.0
  Tc  Tc2  1  0.91  0.1  0.1  1.0
  Pd  Pd3  1  0.77  0.96  0.96  1.0

Si Tc Tc Pd