data_LaAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   131.88
_cell_angle_beta   131.88
_cell_angle_gamma   70.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgIr2
_chemical_formula_sum   'La1 Ag1 Ir2'
_cell_volume   77.05
_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  0.0  0.13  0.13  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.13  0.0  0.13  1.0
  Ir  Ir2  1  0.0  0.0  0.26  1.0

data_LaAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.21
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgIr2
_chemical_formula_sum   'La1 Ag1 Ir2'
_cell_volume   77.05
_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  1.0  0.13  1.0  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.74  0.0  0.74  1.0
  Ir  Ir3  1  0.87  0.0  1.0  1.0

La Ag Ir Ir