data_FeSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   138.48
_cell_angle_beta   138.48
_cell_angle_gamma   60.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb4
_chemical_formula_sum   'Fe1 Sb4'
_cell_volume   155.35
_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  0.0  0.51  0.07  1.0
  Sb  Sb2  1  0.51  0.0  0.07  1.0
  Sb  Sb3  1  0.0  0.0  0.69  1.0
  Sb  Sb4  1  0.0  0.0  0.59  1.0

data_FeSb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   120.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSb4
_chemical_formula_sum   'Fe2 Sb8'
_cell_volume   310.69
_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
  Sb  Sb1  4  0.24  0.24  0.56  1.0
  Sb  Sb2  2  0.0  0.0  0.59  1.0
  Sb  Sb3  2  0.0  0.0  0.69  1.0

Fe Sb Sb Sb Sb