data_TcAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   131.73
_cell_angle_beta   131.73
_cell_angle_gamma   70.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg2Pd
_chemical_formula_sum   'Tc1 Ag2 Pd1'
_cell_volume   67.09
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.03  0.0  0.03  1.0
  Ag  Ag1  1  0.0  0.0  0.06  1.0
  Pd  Pd2  1  0.0  0.03  0.03  1.0

data_TcAg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.97
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg2Pd
_chemical_formula_sum   'Tc1 Ag2 Pd1'
_cell_volume   67.09
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.03  1.0  1.0  1.0
  Ag  Ag2  1  0.06  0.06  0.06  1.0
  Pd  Pd3  1  1.0  0.03  1.0  1.0

Tc Ag Ag Pd
Tc Ag Ag Pd 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 