data_VFe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   139.66
_cell_angle_beta   127.95
_cell_angle_gamma   67.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Si
_chemical_formula_sum   'V1 Fe2 Si1'
_cell_volume   46.2
_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  0.0  0.0  0.75  1.0
  Fe  Fe0  1  0.56  0.0  0.87  1.0
  Fe  Fe1  1  0.0  0.98  0.88  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_VFe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.96
_cell_length_c   4.51
_cell_angle_alpha   116.03
_cell_angle_beta   110.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Si
_chemical_formula_sum   'V1 Fe2 Si1'
_cell_volume   46.2
_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  V0  1  0.25  0.25  0.25  1.0
  Fe  Fe1  1  0.12  0.1  0.1  1.0
  Fe  Fe2  1  0.69  0.13  0.69  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

V Fe Fe Si