data_NaBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   2.93
_cell_angle_alpha   104.45
_cell_angle_beta   104.45
_cell_angle_gamma   118.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiIr2
_chemical_formula_sum   'Na1 Bi1 Ir2'
_cell_volume   73.37
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.93  0.0  0.0  1.0
  Ir  Ir1  1  0.75  0.56  0.28  1.0
  Ir  Ir2  1  0.75  0.44  0.28  1.0

data_NaBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.13
_cell_length_c   5.69
_cell_angle_alpha   116.47
_cell_angle_beta   104.45
_cell_angle_gamma   91.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiIr2
_chemical_formula_sum   'Na1 Bi1 Ir2'
_cell_volume   73.37
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  -0.0  0.0  0.93  1.0
  Ir  Ir2  1  0.72  0.44  0.19  1.0
  Ir  Ir3  1  0.84  0.56  0.31  1.0

Na Bi Ir Ir