data_CoGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   2.95
_cell_angle_alpha   91.23
_cell_angle_beta   91.23
_cell_angle_gamma   94.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Ir
_chemical_formula_sum   'Co1 Ge2 Ir1'
_cell_volume   55.79
_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  0.0  1.0
  Ge  Ge1  1  0.43  0.6  0.48  1.0
  Ge  Ge2  1  0.43  0.4  0.48  1.0
  Ir  Ir3  1  0.95  0.0  0.0  1.0

data_CoGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   94.66
_cell_angle_beta   91.23
_cell_angle_gamma   91.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Ir
_chemical_formula_sum   'Co1 Ge2 Ir1'
_cell_volume   55.79
_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  0.0  1.0
  Ge  Ge1  1  0.48  0.43  0.4  1.0
  Ge  Ge2  1  0.48  0.43  0.6  1.0
  Ir  Ir3  1  0.0  0.95  0.0  1.0

Co Ge Ge Ir