data_CrFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   2.55
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Tc
_chemical_formula_sum   'Cr1 Fe2 Tc1'
_cell_volume   49.98
_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  0.96  1.0
  Fe  Fe1  1  0.48  0.0  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.2  1.0
  Tc  Tc3  1  0.48  0.0  0.05  1.0

data_CrFe2Tc
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.55
_cell_length_b   8.15
_cell_length_c   2.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CrFe2Tc
_chemical_formula_sum   'Cr1 Fe2 Tc1'
_cell_volume   49.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.04  0.0  1.0
  Fe  Fe1  1  0.0  0.8  0.0  1.0
  Fe  Fe2  1  0.5  0.98  0.0  1.0
  Tc  Tc3  1  0.5  0.95  0.0  1.0

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