data_B2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   148.07
_cell_angle_beta   147.57
_cell_angle_gamma   46.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrPt
_chemical_formula_sum   'B2 Ir1 Pt1'
_cell_volume   44.43
_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
  B  B0  1  0.0  0.0  0.39  1.0
  B  B1  1  0.48  0.0  0.95  1.0
  Ir  Ir2  1  0.0  0.0  0.53  1.0
  Pt  Pt3  1  0.0  0.51  0.05  1.0

data_B2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.01
_cell_length_c   5.4
_cell_angle_alpha   106.21
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrPt
_chemical_formula_sum   'B2 Ir1 Pt1'
_cell_volume   44.43
_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
  B  B0  1  0.0  0.39  0.39  1.0
  B  B1  1  0.0  0.95  0.47  1.0
  Ir  Ir2  1  0.0  0.53  0.53  1.0
  Pt  Pt3  1  0.49  0.55  0.55  1.0

B B Ir Pt