data_TcGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   147.97
_cell_angle_beta   135.09
_cell_angle_gamma   56.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Ir
_chemical_formula_sum   'Tc1 Ge2 Ir1'
_cell_volume   60.41
_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
  Tc  Tc3  1  0.0  0.0  0.31  1.0
  Ge  Ge0  1  0.0  0.08  0.73  1.0
  Ge  Ge1  1  0.0  0.0  0.49  1.0
  Ir  Ir2  1  0.51  0.0  0.72  1.0

data_TcGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.17
_cell_length_c   5.46
_cell_angle_alpha   112.45
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Ir
_chemical_formula_sum   'Tc1 Ge2 Ir1'
_cell_volume   60.41
_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
  Tc  Tc0  1  0.0  0.31  0.31  1.0
  Ge  Ge1  1  0.0  0.49  0.49  1.0
  Ge  Ge2  1  0.92  0.65  0.65  1.0
  Ir  Ir3  1  0.0  0.72  0.21  1.0

Tc Ge Ge Ir