data_SiTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.97
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPd2
_chemical_formula_sum   'Si1 Tc1 Pd2'
_cell_volume   58.11
_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  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.66  1.0
  Pd  Pd0  1  0.37  0.99  1.0  1.0
  Pd  Pd1  1  0.37  0.99  0.33  1.0

data_SiTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.97
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcPd2
_chemical_formula_sum   'Si1 Tc1 Pd2'
_cell_volume   58.11
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.66  1.0
  Pd  Pd2  1  0.37  0.99  0.33  1.0
  Pd  Pd3  1  0.37  0.99  1.0  1.0

Si Tc Pd Pd
Si Tc Pd Pd 0 2 o - - 0 1 o o - 0 3 o - o 1 3 o - o 1 2 o - o 2 3 o o + 