data_VFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47
_cell_length_b   4.0
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeCo2
_chemical_formula_sum   'V1 Fe1 Co2'
_cell_volume   46.17
_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  Fe2  1  0.82  0.0  0.34  1.0
  Co  Co0  1  0.65  0.0  0.19  1.0
  Co  Co1  1  0.99  0.0  0.48  1.0

data_VFeCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.47
_cell_length_b   4.0
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VFeCo2
_chemical_formula_sum   'V1 Fe1 Co2'
_cell_volume   46.17
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.82  0.0  0.34  1.0
  Co  Co2  1  0.65  0.0  0.19  1.0
  Co  Co3  1  0.99  0.0  0.48  1.0

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