data_Co2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.79
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GeIr
_chemical_formula_sum   'Co2 Ge1 Ir1'
_cell_volume   50.93
_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  0.84  0.89  0.77  1.0
  Co  Co1  1  0.81  0.89  0.23  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.48  0.0  0.5  1.0

data_Co2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.79
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GeIr
_chemical_formula_sum   'Co2 Ge1 Ir1'
_cell_volume   50.93
_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  0.81  0.89  0.23  1.0
  Co  Co1  1  0.84  0.89  0.77  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.48  0.0  0.5  1.0

Co Co Ge Ir