data_CoGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.64
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Ir
_chemical_formula_sum   'Co1 Ge2 Ir1'
_cell_volume   56.39
_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
  Co  Co0  1  0.0  0.0  0.01  1.0
  Ge  Ge1  1  0.0  0.32  0.03  1.0
  Ge  Ge2  1  0.44  0.0  0.17  1.0
  Ir  Ir3  1  0.44  0.32  0.1  1.0

data_CoGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.21
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Ir
_chemical_formula_sum   'Co1 Ge2 Ir1'
_cell_volume   56.39
_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
  Co  Co0  1  0.0  0.99  0.0  1.0
  Ge  Ge1  1  0.0  0.97  0.68  1.0
  Ge  Ge2  1  0.56  0.83  0.0  1.0
  Ir  Ir3  1  0.56  0.9  0.68  1.0

Co Ge Ge Ir
Co Ge Ge Ir 0 2 - o o 0 2 o o o 0 1 o o o 1 3 - o o 1 3 o o o 2 3 o o o 