data_FeB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Sb
_chemical_formula_sum   'Fe1 B2 Sb1'
_cell_volume   48.94
_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  0.0  1.0
  B  B0  1  0.98  0.0  0.12  1.0
  B  B1  1  0.98  0.0  0.85  1.0
  Sb  Sb3  1  0.0  0.0  0.98  1.0

data_FeB2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   3.95
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeB2Sb
_chemical_formula_sum   'Fe2 B4 Sb2'
_cell_volume   97.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  B  B1  2  0.49  0.5  0.12  1.0
  B  B2  2  0.49  0.5  0.85  1.0
  Sb  Sb3  2  0.0  0.0  0.98  1.0

Fe B B Sb
Fe B B Sb 0 3 o o - 0 1 - o o 0 2 - o - 1 3 + o - 2 3 + o o 