data_Ag2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   2.96
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   124.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeIr
_chemical_formula_sum   'Ag2 Ge1 Ir1'
_cell_volume   67.29
_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
  Ag  Ag0  1  0.53  0.46  0.24  1.0
  Ag  Ag1  1  0.53  0.54  0.24  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.66  0.0  0.0  1.0

data_Ag2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.48
_cell_length_c   5.73
_cell_angle_alpha   112.71
_cell_angle_beta   104.49
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2GeIr
_chemical_formula_sum   'Ag2 Ge1 Ir1'
_cell_volume   67.29
_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
  Ag  Ag0  1  0.71  0.46  0.99  1.0
  Ag  Ag1  1  0.78  0.54  0.07  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.66  1.0

Ag Ag Ge Ir