data_VFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   147.47
_cell_angle_beta   130.68
_cell_angle_gamma   60.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Cl
_chemical_formula_sum   'V1 Fe2 Cl1'
_cell_volume   51.17
_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  0.34  1.0
  Fe  Fe1  1  0.0  0.1  0.29  1.0
  Fe  Fe2  1  0.41  0.0  0.05  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_VFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.19
_cell_length_c   5.02
_cell_angle_alpha   114.66
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Cl
_chemical_formula_sum   'V1 Fe2 Cl1'
_cell_volume   51.17
_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  V0  1  0.0  0.34  0.34  1.0
  Fe  Fe1  1  0.0  0.05  0.64  1.0
  Fe  Fe2  1  0.9  0.2  0.2  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

V Fe Fe Cl