data_ZrVFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.75
_cell_angle_alpha   100.26
_cell_angle_beta   100.26
_cell_angle_gamma   113.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVFe2
_chemical_formula_sum   'Zr1 V1 Fe2'
_cell_volume   57.22
_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
  Zr  Zr3  1  0.69  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.9  0.96  0.3  1.0
  Fe  Fe1  1  0.9  0.04  0.3  1.0

data_ZrVFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   113.38
_cell_angle_beta   100.26
_cell_angle_gamma   100.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVFe2
_chemical_formula_sum   'Zr1 V1 Fe2'
_cell_volume   57.22
_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
  Zr  Zr0  1  0.0  0.69  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.3  0.9  0.04  1.0
  Fe  Fe3  1  0.3  0.9  0.96  1.0

Zr V Fe Fe