data_BiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi2 Ir4'
_cell_volume   108.51
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.0  0.68  0.35  1.0
  Bi  Bi1  1  0.32  0.34  0.45  1.0
  Ir  Ir2  1  0.0  0.0  0.9  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Ir  Ir4  1  0.32  0.34  0.35  1.0
  Ir  Ir5  1  0.0  0.68  0.45  1.0

data_BiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2
_chemical_formula_sum   'Bi2 Ir4'
_cell_volume   108.51
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.0  0.68  0.35  1.0
  Bi  Bi1  1  0.32  0.34  0.45  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.9  1.0
  Ir  Ir4  1  0.0  0.68  0.45  1.0
  Ir  Ir5  1  0.32  0.34  0.35  1.0

Bi Bi Ir Ir Ir Ir