data_VInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   139.47
_cell_angle_beta   126.99
_cell_angle_gamma   68.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInFe2
_chemical_formula_sum   'V1 In1 Fe2'
_cell_volume   56.7
_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
  In  In2  1  0.0  0.0  0.97  1.0
  Fe  Fe0  1  0.0  0.15  0.1  1.0
  Fe  Fe1  1  0.67  0.0  0.86  1.0

data_VInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.29
_cell_length_c   4.81
_cell_angle_alpha   116.5
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInFe2
_chemical_formula_sum   'V1 In1 Fe2'
_cell_volume   56.7
_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
  In  In1  1  0.03  0.03  0.03  1.0
  Fe  Fe2  1  0.8  0.14  0.8  1.0
  Fe  Fe3  1  0.9  0.04  0.04  1.0

V In Fe Fe