data_TcPdRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPdRh2
_chemical_formula_sum   'Tc1 Pd1 Rh2'
_cell_volume   57.8
_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
  Pd  Pd0  1  0.0  0.0  0.86  1.0
  Rh  Rh1  1  0.94  0.0  0.93  1.0
  Rh  Rh2  1  0.0  0.94  0.93  1.0

data_TcPdRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   125.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPdRh2
_chemical_formula_sum   'Tc2 Pd2 Rh4'
_cell_volume   115.61
_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
  Pd  Pd1  2  0.14  0.0  0.14  1.0
  Rh  Rh2  4  0.04  0.03  0.01  1.0

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