data_La2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   7.58
_cell_angle_alpha   105.63
_cell_angle_beta   105.63
_cell_angle_gamma   58.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgIr
_chemical_formula_sum   'La2 Ag1 Ir1'
_cell_volume   114.73
_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  La2  1  0.13  0.0  0.12  1.0
  La  La3  1  0.1  0.0  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.61  0.0  0.61  1.0

data_La2AgIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.33
_cell_length_c   7.58
_cell_angle_alpha   105.63
_cell_angle_beta   90.0
_cell_angle_gamma   119.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgIr
_chemical_formula_sum   'La2 Ag1 Ir1'
_cell_volume   114.73
_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  0.87  0.88  1.0
  La  La1  1  0.0  0.9  0.91  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.39  0.39  1.0

La La Ag Ir