data_AlCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.68
_cell_angle_alpha   101.7
_cell_angle_beta   101.7
_cell_angle_gamma   114.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrTc2
_chemical_formula_sum   'Al1 Cr1 Tc2'
_cell_volume   55.26
_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  0.0  1.0
  Cr  Cr1  1  0.68  0.0  0.0  1.0
  Tc  Tc2  1  0.84  0.92  0.24  1.0
  Tc  Tc3  1  0.84  0.08  0.24  1.0

data_AlCrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   114.39
_cell_angle_beta   101.7
_cell_angle_gamma   101.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrTc2
_chemical_formula_sum   'Al1 Cr1 Tc2'
_cell_volume   55.26
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.68  0.0  1.0
  Tc  Tc2  1  0.24  0.84  0.08  1.0
  Tc  Tc3  1  0.24  0.84  0.92  1.0

Al Cr Tc Tc