data_Cu3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Tc
_chemical_formula_sum   'Cu6 Tc2'
_cell_volume   105.57
_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  0.54  0.0  0.36  1.0
  Cu  Cu1  1  0.18  0.0  0.36  1.0
  Cu  Cu2  1  0.36  0.54  0.0  1.0
  Cu  Cu3  1  0.36  0.18  0.0  1.0
  Cu  Cu4  1  0.0  0.36  0.54  1.0
  Cu  Cu5  1  0.0  0.36  0.18  1.0
  Tc  Tc6  1  0.36  0.36  0.36  1.0
  Tc  Tc7  1  0.0  0.0  0.0  1.0

data_Cu3Tc
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Cu3Tc
_chemical_formula_sum   'Cu18 Tc6'
_cell_volume   316.71
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.82  0.18  1.0
  Cu  Cu1  9  0.03  0.42  0.97  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.36  1.0

Cu Cu Cu Cu Cu Cu Tc Tc