data_VFe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.01
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Sb
_chemical_formula_sum   'V1 Fe2 Sb1'
_cell_volume   58.9
_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
  V  V3  1  0.6  0.0  0.0  1.0
  Fe  Fe0  1  0.8  0.01  0.06  1.0
  Fe  Fe1  1  0.75  0.0  0.07  1.0
  Sb  Sb2  1  0.97  0.01  0.57  1.0

data_VFe2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.86
_cell_length_b   4.01
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VFe2Sb
_chemical_formula_sum   'V1 Fe2 Sb1'
_cell_volume   58.9
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  V  V0  1  0.6  0.0  0.0  1.0
  Fe  Fe1  1  0.75  0.0  0.07  1.0
  Fe  Fe2  1  0.8  0.0  0.06  1.0
  Sb  Sb3  1  0.97  0.0  0.57  1.0

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