data_TcPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   2.7
_cell_angle_alpha   103.75
_cell_angle_beta   103.75
_cell_angle_gamma   119.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2Pt
_chemical_formula_sum   'Tc1 Pd2 Pt1'
_cell_volume   61.5
_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  0.73  0.36  0.19  1.0
  Pd  Pd1  1  0.73  0.64  0.19  1.0
  Pt  Pt2  1  0.74  0.0  0.0  1.0

data_TcPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.84
_cell_length_c   5.46
_cell_angle_alpha   115.96
_cell_angle_beta   103.75
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2Pt
_chemical_formula_sum   'Tc1 Pd2 Pt1'
_cell_volume   61.5
_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  Tc0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.55  0.36  0.09  1.0
  Pd  Pd2  1  0.83  0.64  0.37  1.0
  Pt  Pt3  1  0.0  0.0  0.74  1.0

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