data_ZrCuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.54
_cell_length_c   2.83
_cell_angle_alpha   80.55
_cell_angle_beta   74.8
_cell_angle_gamma   24.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuTc
_chemical_formula_sum   'Zr1 Cu1 Tc1'
_cell_volume   48.83
_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
  Zr  Zr2  1  0.74  0.22  0.2  1.0
  Cu  Cu0  1  0.74  0.22  0.09  1.0
  Tc  Tc1  1  0.74  0.22  0.31  1.0

data_ZrCuTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.48
_cell_length_b   12.6
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   128.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCuTc
_chemical_formula_sum   'Zr2 Cu2 Tc2'
_cell_volume   97.65
_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
  Zr  Zr0  2  0.22  0.0  0.06  1.0
  Cu  Cu1  2  0.22  0.0  0.17  1.0
  Tc  Tc2  2  0.22  0.0  0.95  1.0

Zr Cu Tc
Zr Cu Tc 0 1 o o o 0 2 o o o 