data_AlCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   18.77
_cell_angle_beta   18.77
_cell_angle_gamma   18.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Tc
_chemical_formula_sum   'Al1 Cr2 Tc1'
_cell_volume   52.63
_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
  Al  Al0  1  0.0  0.0  0.37  1.0
  Cr  Cr1  1  0.0  0.0  0.43  1.0
  Cr  Cr2  1  0.0  0.0  0.28  1.0
  Tc  Tc3  1  0.0  0.0  0.42  1.0

data_AlCr2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.72
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCr2Tc
_chemical_formula_sum   'Al2 Cr4 Tc2'
_cell_volume   105.27
_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
  Al  Al0  2  0.0  0.0  0.63  1.0
  Cr  Cr1  2  0.0  0.0  0.57  1.0
  Cr  Cr2  2  0.0  0.0  0.72  1.0
  Tc  Tc3  2  0.0  0.0  0.58  1.0

Al Cr Cr Tc
Al Cr Cr Tc 0 3 o o o 0 2 o o o 1 3 o o o 