data_Cu2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcSb
_chemical_formula_sum   'Cu2 Tc1 Sb1'
_cell_volume   61.89
_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  0.33  0.01  0.45  1.0
  Cu  Cu1  1  0.33  0.99  0.45  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.65  0.0  0.0  1.0

data_Cu2TcSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   113.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcSb
_chemical_formula_sum   'Cu2 Tc1 Sb1'
_cell_volume   61.89
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.45  0.33  0.01  1.0
  Cu  Cu2  1  0.45  0.33  0.99  1.0
  Sb  Sb3  1  0.0  0.65  0.0  1.0

Cu Cu Tc Sb
Cu Cu Tc Sb 0 1 o - o 0 2 o o o 0 3 o o o 1 2 o + o 1 3 o + o 2 3 - o o 