data_TaBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   146.4
_cell_angle_beta   126.25
_cell_angle_gamma   64.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBIr2
_chemical_formula_sum   'Ta1 B1 Ir2'
_cell_volume   53.9
_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
  Ta  Ta3  1  0.43  0.0  0.82  1.0
  B  B0  1  0.0  0.0  0.98  1.0
  Ir  Ir1  1  0.43  0.0  0.42  1.0
  Ir  Ir2  1  0.0  0.0  0.34  1.0

data_TaBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.49
_cell_length_c   4.96
_cell_angle_alpha   116.88
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBIr2
_chemical_formula_sum   'Ta1 B1 Ir2'
_cell_volume   53.9
_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
  Ta  Ta0  1  0.0  0.82  0.38  1.0
  B  B1  1  0.0  0.98  0.98  1.0
  Ir  Ir2  1  0.0  0.34  0.34  1.0
  Ir  Ir3  1  0.0  0.42  0.99  1.0

Ta B Ir Ir