data_Bi2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.52
_cell_angle_alpha   93.65
_cell_angle_beta   93.65
_cell_angle_gamma   100.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PIr
_chemical_formula_sum   'Bi2 P1 Ir1'
_cell_volume   87.4
_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
  Bi  Bi0  1  0.44  0.06  0.75  1.0
  Bi  Bi1  1  0.44  0.94  0.75  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.22  0.0  0.0  1.0

data_Bi2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   100.44
_cell_angle_beta   93.65
_cell_angle_gamma   93.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PIr
_chemical_formula_sum   'Bi2 P1 Ir1'
_cell_volume   87.4
_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
  Bi  Bi0  1  0.75  0.44  0.06  1.0
  Bi  Bi1  1  0.75  0.44  0.94  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.22  0.0  1.0

Bi Bi P Ir