data_GePIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   142.34
_cell_angle_beta   129.93
_cell_angle_gamma   64.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePIr
_chemical_formula_sum   'Ge1 P1 Ir1'
_cell_volume   45.83
_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  0.03  1.0
  P  P2  1  0.0  0.0  0.57  1.0
  Ir  Ir1  1  0.0  0.0  0.24  1.0

data_GePIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.92
_cell_length_c   4.63
_cell_angle_alpha   115.03
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePIr
_chemical_formula_sum   'Ge1 P1 Ir1'
_cell_volume   45.83
_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  0.97  0.97  0.97  1.0
  P  P1  1  0.43  0.43  0.43  1.0
  Ir  Ir2  1  0.76  0.76  0.76  1.0

Ge P Ir