data_Cd2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   149.83
_cell_angle_beta   127.44
_cell_angle_gamma   61.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcAg
_chemical_formula_sum   'Cd2 Tc1 Ag1'
_cell_volume   72.95
_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
  Cd  Cd1  1  0.48  0.0  0.46  1.0
  Cd  Cd2  1  0.0  0.52  0.42  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.88  1.0

data_Cd2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.04
_cell_length_c   5.69
_cell_angle_alpha   116.28
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcAg
_chemical_formula_sum   'Cd2 Tc1 Ag1'
_cell_volume   72.95
_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
  Cd  Cd0  1  0.0  0.46  0.98  1.0
  Cd  Cd1  1  0.48  0.9  0.9  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.88  0.88  1.0

Cd Cd Tc Ag
Cd Cd Tc Ag 0 1 o - - 0 1 o o o 0 1 + - o 0 1 + o + 0 2 o o o 0 2 + o + 0 3 o o - 0 3 + o o 0 0 o + + 1 2 o + + 1 2 o o o 1 3 o + o 1 3 o o - 2 3 o o - 