data_CrFeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeTc2
_chemical_formula_sum   'Cr1 Fe1 Tc2'
_cell_volume   51.39
_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  0.83  1.0
  Fe  Fe1  1  0.32  0.32  0.43  1.0
  Tc  Tc2  1  0.0  0.0  0.21  1.0
  Tc  Tc3  1  0.32  0.32  0.93  1.0

data_CrFeTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrFeTc2
_chemical_formula_sum   'Cr2 Fe2 Tc4'
_cell_volume   102.78
_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
  Cr  Cr0  2  0.0  0.0  0.83  1.0
  Fe  Fe1  2  0.32  0.0  0.43  1.0
  Tc  Tc2  2  0.0  0.0  0.21  1.0
  Tc  Tc3  2  0.32  0.0  0.93  1.0

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