data_VCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   137.35
_cell_angle_beta   137.35
_cell_angle_gamma   61.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Re
_chemical_formula_sum   'V1 Cd2 Re1'
_cell_volume   67.64
_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
  Cd  Cd0  1  0.93  0.0  0.27  1.0
  Cd  Cd1  1  0.0  0.93  0.27  1.0
  Re  Re2  1  0.0  0.0  0.55  1.0

data_VCd2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   120.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCd2Re
_chemical_formula_sum   'V2 Cd4 Re2'
_cell_volume   135.29
_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
  Cd  Cd1  4  0.19  0.46  0.65  1.0
  Re  Re2  2  0.45  0.0  0.45  1.0

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