data_VZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.83
_cell_angle_alpha   95.76
_cell_angle_beta   95.76
_cell_angle_gamma   32.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Fe
_chemical_formula_sum   'V1 Zn2 Fe1'
_cell_volume   52.41
_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  V1  1  0.32  0.0  0.32  1.0
  Zn  Zn2  1  0.09  0.0  0.76  1.0
  Zn  Zn3  1  0.74  0.0  0.64  1.0
  Fe  Fe0  1  0.1  0.0  0.29  1.0

data_VZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.49
_cell_length_c   4.83
_cell_angle_alpha   95.76
_cell_angle_beta   90.0
_cell_angle_gamma   106.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Fe
_chemical_formula_sum   'V1 Zn2 Fe1'
_cell_volume   52.41
_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  0.68  0.68  1.0
  Zn  Zn1  1  0.0  0.26  0.36  1.0
  Zn  Zn2  1  0.0  0.91  0.24  1.0
  Fe  Fe3  1  0.0  0.9  0.71  1.0

V Zn Zn Fe