data_B2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.71
_cell_angle_alpha   102.25
_cell_angle_beta   102.25
_cell_angle_gamma   51.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AsIr
_chemical_formula_sum   'B2 As1 Ir1'
_cell_volume   55.81
_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  B1  1  0.7  0.0  0.54  1.0
  B  B2  1  0.04  0.0  0.41  1.0
  As  As0  1  0.28  0.0  0.12  1.0
  Ir  Ir3  1  0.12  0.0  0.8  1.0

data_B2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.95
_cell_length_c   4.71
_cell_angle_alpha   102.25
_cell_angle_beta   90.0
_cell_angle_gamma   115.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AsIr
_chemical_formula_sum   'B2 As1 Ir1'
_cell_volume   55.81
_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  0.3  0.46  1.0
  B  B1  1  0.0  0.96  0.59  1.0
  As  As2  1  0.0  0.72  0.88  1.0
  Ir  Ir3  1  0.0  0.88  0.2  1.0

B B As Ir