data_FeSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.4
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ir
_chemical_formula_sum   'Fe1 Sb2 Ir1'
_cell_volume   70.37
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.45  0.7  0.91  1.0
  Sb  Sb3  1  0.54  0.7  0.57  1.0
  Ir  Ir1  1  0.9  0.0  0.24  1.0

data_FeSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.4
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ir
_chemical_formula_sum   'Fe1 Sb2 Ir1'
_cell_volume   70.37
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.45  0.7  0.91  1.0
  Sb  Sb2  1  0.54  0.7  0.57  1.0
  Ir  Ir3  1  0.9  0.0  0.24  1.0

Fe Sb Sb Ir