data_VFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Os
_chemical_formula_sum   'V1 Fe2 Os1'
_cell_volume   48.79
_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  Fe0  1  0.3  0.3  0.81  1.0
  Fe  Fe1  1  0.3  0.3  0.39  1.0
  Os  Os2  1  0.0  0.0  0.6  1.0

data_VFe2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe2Os
_chemical_formula_sum   'V2 Fe4 Os2'
_cell_volume   97.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.3  0.0  0.39  1.0
  Fe  Fe2  2  0.3  0.0  0.81  1.0
  Os  Os3  2  0.0  0.0  0.6  1.0

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