data_VFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   131.53
_cell_angle_beta   131.53
_cell_angle_gamma   70.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Re
_chemical_formula_sum   'V1 Fe2 Re1'
_cell_volume   49.16
_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  Fe0  1  0.84  0.0  0.82  1.0
  Fe  Fe1  1  0.0  0.84  0.82  1.0
  Re  Re2  1  0.0  0.0  0.64  1.0

data_VFe2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   125.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe2Re
_chemical_formula_sum   'V2 Fe4 Re2'
_cell_volume   98.31
_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  4  0.08  0.08  0.99  1.0
  Re  Re2  2  0.0  0.0  0.64  1.0

V Fe Fe Re
V Fe Fe Re 0 1 - o - 0 2 o - - 0 3 o o - 1 3 + o o 2 3 o + o 