data_VZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   131.67
_cell_angle_beta   131.67
_cell_angle_gamma   70.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Re
_chemical_formula_sum   'V1 Zn2 Re1'
_cell_volume   56.02
_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  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.92  0.0  0.91  1.0
  Zn  Zn3  1  0.0  0.0  0.82  1.0
  Re  Re0  1  0.0  0.92  0.91  1.0

data_VZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.68
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Re
_chemical_formula_sum   'V1 Zn2 Re1'
_cell_volume   56.02
_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
  Zn  Zn1  1  0.82  0.82  0.82  1.0
  Zn  Zn2  1  0.91  0.99  0.99  1.0
  Re  Re3  1  0.99  0.91  0.99  1.0

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