data_VFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Co
_chemical_formula_sum   'V1 Fe2 Co1'
_cell_volume   45.16
_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
  Fe  Fe1  1  0.25  0.23  0.27  1.0
  Fe  Fe2  1  0.25  0.77  0.27  1.0
  Co  Co0  1  0.5  0.0  0.0  1.0

data_VFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   109.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Co
_chemical_formula_sum   'V1 Fe2 Co1'
_cell_volume   45.16
_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
  Fe  Fe1  1  0.27  0.25  0.23  1.0
  Fe  Fe2  1  0.27  0.25  0.77  1.0
  Co  Co3  1  0.0  0.5  0.0  1.0

V Fe Fe Co
V Fe Fe Co 0 1 o o o 2 3 o + o 