data_CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.29
_cell_angle_alpha   104.9
_cell_angle_beta   104.9
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc
_chemical_formula_sum   'Cu3 Tc3'
_cell_volume   80.22
_cell_formula_units_Z   3
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  0.93  0.0  0.06  1.0
  Cu  Cu1  1  0.1  0.0  0.99  1.0
  Cu  Cu2  1  0.28  0.0  0.7  1.0
  Tc  Tc3  1  0.35  0.0  0.05  1.0
  Tc  Tc4  1  0.48  0.0  0.74  1.0
  Tc  Tc5  1  0.43  0.0  0.69  1.0

data_CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.04
_cell_length_c   6.29
_cell_angle_alpha   104.9
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc
_chemical_formula_sum   'Cu3 Tc3'
_cell_volume   80.22
_cell_formula_units_Z   3
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  0.07  0.94  1.0
  Tc  Tc1  1  0.0  0.52  0.26  1.0
  Tc  Tc2  1  0.0  0.57  0.31  1.0
  Tc  Tc3  1  0.0  0.65  0.95  1.0
  Cu  Cu4  1  0.0  0.72  0.3  1.0
  Cu  Cu5  1  0.0  0.9  0.01  1.0

Cu Cu Cu Tc Tc Tc