data_LiAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   149.22
_cell_angle_beta   127.99
_cell_angle_gamma   61.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgIr2
_chemical_formula_sum   'Li1 Ag1 Ir2'
_cell_volume   60.23
_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
  Li  Li3  1  0.0  0.0  0.54  1.0
  Ag  Ag0  1  0.0  0.33  0.24  1.0
  Ir  Ir1  1  0.0  0.0  0.11  1.0
  Ir  Ir2  1  0.41  0.0  0.24  1.0

data_LiAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.67
_cell_length_c   5.32
_cell_angle_alpha   116.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAgIr2
_chemical_formula_sum   'Li1 Ag1 Ir2'
_cell_volume   60.23
_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
  Li  Li0  1  0.0  0.54  0.54  1.0
  Ag  Ag1  1  0.67  0.91  0.91  1.0
  Ir  Ir2  1  0.0  0.11  0.11  1.0
  Ir  Ir3  1  0.0  0.24  0.83  1.0

Li Ag Ir Ir
Li Ag Ir Ir 0 0 o + + 0 1 o o + 0 1 o - o 0 3 - o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 