data_LiBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiIr2
_chemical_formula_sum   'Li1 Bi1 Ir2'
_cell_volume   70.32
_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
  Bi  Bi0  1  0.0  0.0  0.71  1.0
  Ir  Ir1  1  0.51  0.0  0.27  1.0
  Ir  Ir2  1  0.51  0.0  0.14  1.0

data_LiBiIr2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.9
_cell_length_b   9.41
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   117.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LiBiIr2
_chemical_formula_sum   'Li1 Bi1 Ir2'
_cell_volume   70.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Bi  Bi1  1  0.0  0.29  0.0  1.0
  Ir  Ir2  1  0.5  0.73  0.0  1.0
  Ir  Ir3  1  0.5  0.86  0.0  1.0

Li Bi Ir Ir