data_Al2CrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   143.58
_cell_angle_beta   129.7
_cell_angle_gamma   63.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTc
_chemical_formula_sum   'Al2 Cr1 Tc1'
_cell_volume   55.63
_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  0.13  1.0
  Al  Al1  1  0.0  0.12  0.23  1.0
  Cr  Cr2  1  0.0  0.0  0.11  1.0
  Tc  Tc3  1  0.56  0.0  0.97  1.0

data_Al2CrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.23
_cell_length_c   4.98
_cell_angle_alpha   115.15
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrTc
_chemical_formula_sum   'Al2 Cr1 Tc1'
_cell_volume   55.63
_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  0.77  0.88  0.88  1.0
  Al  Al1  1  0.87  0.87  0.87  1.0
  Cr  Cr2  1  0.89  0.89  0.89  1.0
  Tc  Tc3  1  0.58  0.03  0.58  1.0

Al Al Cr Tc