data_Cu2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   144.24
_cell_angle_beta   128.49
_cell_angle_gamma   64.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcRu
_chemical_formula_sum   'Cu2 Tc1 Ru1'
_cell_volume   52.23
_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  Cu0  1  0.5  0.0  0.1  1.0
  Cu  Cu1  1  0.0  0.0  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.22  1.0
  Ru  Ru2  1  0.5  0.0  0.09  1.0

data_Cu2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.23
_cell_length_c   4.87
_cell_angle_alpha   115.76
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcRu
_chemical_formula_sum   'Cu2 Tc1 Ru1'
_cell_volume   52.23
_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  Cu0  1  0.0  0.1  0.6  1.0
  Tc  Tc1  1  0.0  0.22  0.22  1.0
  Cu  Cu2  1  0.0  0.97  0.97  1.0
  Ru  Ru3  1  0.0  0.09  0.59  1.0

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