data_TcSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2Pd
_chemical_formula_sum   'Tc1 Sn2 Pd1'
_cell_volume   71.94
_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  Tc3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.68  0.68  0.85  1.0
  Sn  Sn2  1  0.68  0.68  0.53  1.0
  Pd  Pd0  1  0.0  0.0  0.19  1.0

data_TcSn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcSn2Pd
_chemical_formula_sum   'Tc2 Sn4 Pd2'
_cell_volume   143.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.18  0.5  0.53  1.0
  Sn  Sn2  2  0.18  0.5  0.85  1.0
  Pd  Pd3  2  0.0  0.0  0.19  1.0

Tc Sn Sn Pd
Tc Sn Sn Pd 0 3 o o o 0 1 - - - 1 2 o o o 