data_TcGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.96
_cell_angle_alpha   106.6
_cell_angle_beta   106.6
_cell_angle_gamma   108.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Ir
_chemical_formula_sum   'Tc1 Ge2 Ir1'
_cell_volume   62.37
_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  0.0  1.0
  Ge  Ge0  1  0.76  0.04  0.29  1.0
  Ge  Ge1  1  0.76  0.96  0.29  1.0
  Ir  Ir2  1  0.96  0.0  0.0  1.0

data_TcGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   108.05
_cell_angle_beta   106.6
_cell_angle_gamma   106.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Ir
_chemical_formula_sum   'Tc1 Ge2 Ir1'
_cell_volume   62.37
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.29  0.76  0.04  1.0
  Ge  Ge2  1  0.29  0.76  0.96  1.0
  Ir  Ir3  1  0.0  0.96  0.0  1.0

Tc Ge Ge Ir