data_Ge2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   151.68
_cell_angle_beta   133.89
_cell_angle_gamma   55.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeIr
_chemical_formula_sum   'Ge2 Te1 Ir1'
_cell_volume   81.35
_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
  Ge  Ge0  1  0.0  0.43  0.16  1.0
  Ge  Ge1  1  0.52  0.0  0.35  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.51  1.0

data_Ge2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.86
_cell_length_c   6.21
_cell_angle_alpha   113.05
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeIr
_chemical_formula_sum   'Ge2 Te1 Ir1'
_cell_volume   81.35
_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
  Ge  Ge0  1  0.17  0.65  0.17  1.0
  Ge  Ge1  1  0.84  0.28  0.28  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.49  0.49  0.49  1.0

Ge Ge Te Ir