data_CuGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.41
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   35.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Ir
_chemical_formula_sum   'Cu1 Ge2 Ir1'
_cell_volume   59.62
_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
  Cu  Cu0  1  0.91  0.0  0.42  1.0
  Ge  Ge1  1  0.56  0.0  0.2  1.0
  Ge  Ge2  1  0.83  0.0  0.28  1.0
  Ir  Ir3  1  0.31  0.0  0.07  1.0

data_CuGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.41
_cell_length_c   4.82
_cell_angle_alpha   95.72
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2Ir
_chemical_formula_sum   'Cu1 Ge2 Ir1'
_cell_volume   59.62
_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
  Cu  Cu0  1  0.0  0.42  0.91  1.0
  Ge  Ge1  1  0.0  0.2  0.56  1.0
  Ge  Ge2  1  0.0  0.28  0.83  1.0
  Ir  Ir3  1  0.0  0.07  0.31  1.0

Cu Ge Ge Ir