data_FeSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.71
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   44.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Sb
_chemical_formula_sum   'Fe1 Si2 Sb1'
_cell_volume   66.92
_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  0.26  0.0  0.22  1.0
  Si  Si2  1  0.94  0.0  0.47  1.0
  Si  Si3  1  0.48  0.0  0.69  1.0
  Sb  Sb1  1  0.85  0.0  0.97  1.0

data_FeSi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.13
_cell_length_c   5.71
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   112.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Sb
_chemical_formula_sum   'Fe1 Si2 Sb1'
_cell_volume   66.92
_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  0.74  0.78  1.0
  Si  Si1  1  0.0  0.06  0.53  1.0
  Si  Si2  1  0.0  0.52  0.31  1.0
  Sb  Sb3  1  0.0  0.15  0.03  1.0

Fe Si Si Sb