data_CuTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.04
_cell_angle_alpha   96.5
_cell_angle_beta   96.5
_cell_angle_gamma   32.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Ag
_chemical_formula_sum   'Cu1 Tc2 Ag1'
_cell_volume   59.39
_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
  Cu  Cu1  1  0.82  0.0  0.71  1.0
  Tc  Tc2  1  0.88  0.0  0.11  1.0
  Tc  Tc3  1  0.61  0.0  0.06  1.0
  Ag  Ag0  1  0.19  0.0  0.63  1.0

data_CuTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.67
_cell_length_c   5.04
_cell_angle_alpha   96.5
_cell_angle_beta   90.0
_cell_angle_gamma   106.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Ag
_chemical_formula_sum   'Cu1 Tc2 Ag1'
_cell_volume   59.39
_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  0.12  0.89  1.0
  Cu  Cu1  1  0.0  0.18  0.29  1.0
  Tc  Tc2  1  0.0  0.39  0.94  1.0
  Ag  Ag3  1  0.0  0.81  0.37  1.0

Cu Tc Tc Ag
Cu Tc Tc Ag 0 2 o o + 0 3 + o o 0 1 o o + 1 2 o o o 