data_Nb2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   126.8
_cell_angle_beta   126.8
_cell_angle_gamma   78.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuTc
_chemical_formula_sum   'Nb2 Cu1 Tc1'
_cell_volume   62.69
_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
  Nb  Nb1  1  0.09  0.0  0.8  1.0
  Nb  Nb2  1  0.0  0.09  0.8  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0

data_Nb2CuTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   129.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CuTc
_chemical_formula_sum   'Nb4 Cu2 Tc2'
_cell_volume   125.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  4  0.46  0.46  0.72  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.6  1.0

Nb Nb Cu Tc