data_HfV2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   19.47
_cell_angle_beta   19.47
_cell_angle_gamma   19.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Fe
_chemical_formula_sum   'Hf1 V2 Fe1'
_cell_volume   60.24
_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
  Hf  Hf1  1  0.0  0.0  0.55  1.0
  V  V2  1  0.0  0.0  0.58  1.0
  V  V3  1  0.0  0.0  0.51  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_HfV2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   101.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfV2Fe
_chemical_formula_sum   'Hf2 V4 Fe2'
_cell_volume   120.48
_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
  Hf  Hf0  2  0.0  0.0  0.45  1.0
  V  V1  2  0.0  0.0  0.42  1.0
  V  V2  2  0.0  0.0  0.49  1.0
  Fe  Fe3  2  0.0  0.0  0.0  1.0

Hf V V Fe