data_BAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   156.91
_cell_angle_beta   151.35
_cell_angle_gamma   37.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Ir
_chemical_formula_sum   'B1 As2 Ir1'
_cell_volume   68.71
_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  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.43  0.0  0.9  1.0
  As  As1  1  0.0  0.77  0.88  1.0
  Ir  Ir3  1  0.0  0.0  0.78  1.0

data_BAs2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.54
_cell_length_c   7.15
_cell_angle_alpha   104.32
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Ir
_chemical_formula_sum   'B1 As2 Ir1'
_cell_volume   68.71
_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  0.0  1.0
  As  As1  1  0.12  0.89  0.89  1.0
  As  As2  1  0.53  0.1  0.53  1.0
  Ir  Ir3  1  0.22  0.22  0.22  1.0

B As As Ir