data_FeB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   44.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Ir
_chemical_formula_sum   'Fe1 B2 Ir1'
_cell_volume   36.94
_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
  Fe  Fe2  1  0.0  0.0  0.51  1.0
  B  B0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.67  0.0  0.36  1.0
  Ir  Ir3  1  0.67  0.0  0.48  1.0

data_FeB2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.34
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   112.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Ir
_chemical_formula_sum   'Fe1 B2 Ir1'
_cell_volume   36.94
_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
  Fe  Fe0  1  0.49  0.0  0.49  1.0
  B  B1  1  0.64  0.67  0.64  1.0
  B  B2  1  0.71  0.0  0.71  1.0
  Ir  Ir3  1  0.52  0.67  0.52  1.0

Fe B B Ir