data_GeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   149.1
_cell_angle_beta   63.74
_cell_angle_gamma   125.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr3
_chemical_formula_sum   'Ge1 Ir3'
_cell_volume   59.0
_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  0.0  0.76  1.0
  Ir  Ir1  1  0.0  0.44  0.03  1.0
  Ir  Ir2  1  0.39  0.23  0.19  1.0
  Ir  Ir3  1  0.0  0.21  0.58  1.0

data_GeIr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.77
_cell_length_c   5.23
_cell_angle_alpha   117.12
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr3
_chemical_formula_sum   'Ge1 Ir3'
_cell_volume   59.0
_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  0.76  0.76  0.76  1.0
  Ir  Ir1  1  0.03  0.58  0.58  1.0
  Ir  Ir2  1  0.19  0.96  0.36  1.0
  Ir  Ir3  1  0.58  0.37  0.37  1.0

Ge Ir Ir Ir