data_VGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.55
_cell_angle_alpha   100.94
_cell_angle_beta   100.94
_cell_angle_gamma   115.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaFe2
_chemical_formula_sum   'V1 Ga1 Fe2'
_cell_volume   50.21
_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  0.0  1.0
  Ga  Ga2  1  0.58  0.0  0.0  1.0
  Fe  Fe0  1  0.84  0.04  0.19  1.0
  Fe  Fe1  1  0.84  0.96  0.19  1.0

data_VGaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   115.3
_cell_angle_beta   100.94
_cell_angle_gamma   100.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaFe2
_chemical_formula_sum   'V1 Ga1 Fe2'
_cell_volume   50.21
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.58  0.0  1.0
  Fe  Fe2  1  0.19  0.84  0.04  1.0
  Fe  Fe3  1  0.19  0.84  0.96  1.0

V Ga Fe Fe