data_LaGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.0
_cell_angle_alpha   105.01
_cell_angle_beta   105.01
_cell_angle_gamma   114.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeIr2
_chemical_formula_sum   'La1 Ge1 Ir2'
_cell_volume   74.83
_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
  La  La3  1  0.02  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.79  0.36  0.31  1.0
  Ir  Ir2  1  0.79  0.64  0.31  1.0

data_LaGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.29
_cell_length_c   5.6
_cell_angle_alpha   117.87
_cell_angle_beta   105.01
_cell_angle_gamma   91.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeIr2
_chemical_formula_sum   'La1 Ge1 Ir2'
_cell_volume   74.83
_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
  La  La0  1  0.0  0.0  0.02  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.67  0.36  0.15  1.0
  Ir  Ir3  1  0.95  0.64  0.43  1.0

La Ge Ir Ir