data_AlTcGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   140.73
_cell_angle_beta   126.66
_cell_angle_gamma   68.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcGe2
_chemical_formula_sum   'Al1 Tc1 Ge2'
_cell_volume   62.13
_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  0.21  1.0
  Tc  Tc3  1  0.0  0.24  0.01  1.0
  Ge  Ge1  1  0.0  0.24  0.12  1.0
  Ge  Ge2  1  0.0  0.0  0.07  1.0

data_AlTcGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.48
_cell_length_c   4.99
_cell_angle_alpha   116.67
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcGe2
_chemical_formula_sum   'Al1 Tc1 Ge2'
_cell_volume   62.13
_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  0.21  0.21  1.0
  Tc  Tc1  1  0.76  0.77  0.77  1.0
  Ge  Ge2  1  0.0  0.07  0.07  1.0
  Ge  Ge3  1  0.76  0.88  0.88  1.0

Al Tc Ge Ge
Al Tc Ge Ge 0 3 o o o 1 2 o o o 