data_CrCu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   3.75
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Tc
_chemical_formula_sum   'Cr1 Cu2 Tc1'
_cell_volume   50.84
_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
  Cr  Cr0  1  0.0  0.0  0.93  1.0
  Cu  Cu1  1  0.28  0.87  0.06  1.0
  Cu  Cu2  1  0.0  0.0  0.24  1.0
  Tc  Tc3  1  0.28  0.87  0.7  1.0

data_CrCu2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   3.75
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Tc
_chemical_formula_sum   'Cr1 Cu2 Tc1'
_cell_volume   50.84
_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
  Cr  Cr0  1  0.0  0.0  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.24  1.0
  Cu  Cu2  1  0.28  0.87  0.06  1.0
  Tc  Tc3  1  0.28  0.87  0.7  1.0

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