data_LiGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.82
_cell_angle_alpha   100.11
_cell_angle_beta   100.11
_cell_angle_gamma   36.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaIr2
_chemical_formula_sum   'Li1 Ga1 Ir2'
_cell_volume   55.65
_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  0.0  1.0
  Ga  Ga0  1  0.77  0.0  0.37  1.0
  Ir  Ir1  1  0.16  0.0  0.15  1.0
  Ir  Ir2  1  0.38  0.0  0.59  1.0

data_LiGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.44
_cell_length_c   4.82
_cell_angle_alpha   100.11
_cell_angle_beta   90.0
_cell_angle_gamma   108.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaIr2
_chemical_formula_sum   'Li1 Ga1 Ir2'
_cell_volume   55.65
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.23  0.63  1.0
  Ir  Ir2  1  0.0  0.62  0.41  1.0
  Ir  Ir3  1  0.0  0.84  0.85  1.0

Li Ga Ir Ir