data_Cu3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Tc
_chemical_formula_sum   'Cu6 Tc2'
_cell_volume   100.93
_cell_formula_units_Z   2
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  0.34  0.83  0.12  1.0
  Cu  Cu1  1  0.66  0.83  0.12  1.0
  Cu  Cu2  1  0.0  0.51  0.12  1.0
  Cu  Cu3  1  0.31  0.75  0.04  1.0
  Cu  Cu4  1  0.99  0.75  0.04  1.0
  Cu  Cu5  1  0.65  0.08  0.04  1.0
  Tc  Tc6  1  0.65  0.53  0.12  1.0
  Tc  Tc7  1  0.0  0.06  0.04  1.0

data_Cu3Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cu3Tc
_chemical_formula_sum   'Cu6 Tc2'
_cell_volume   100.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.02  0.54  1.0
  Tc  Tc1  2  0.04  0.32  0.24  1.0
  Cu  Cu2  2  0.04  0.33  0.54  1.0
  Cu  Cu3  2  0.04  0.68  0.22  1.0

Cu Cu Cu Cu Cu Cu Tc Tc