data_ZrCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   2.84
_cell_angle_alpha   94.68
_cell_angle_beta   94.68
_cell_angle_gamma   118.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Re
_chemical_formula_sum   'Zr1 Cd2 Re1'
_cell_volume   76.41
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.19  0.6  0.4  1.0
  Cd  Cd1  1  0.19  0.4  0.4  1.0
  Re  Re2  1  0.84  0.0  0.0  1.0

data_ZrCd2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   118.93
_cell_angle_beta   94.68
_cell_angle_gamma   94.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Re
_chemical_formula_sum   'Zr1 Cd2 Re1'
_cell_volume   76.41
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.4  0.19  0.4  1.0
  Cd  Cd2  1  0.4  0.19  0.6  1.0
  Re  Re3  1  0.0  0.84  0.0  1.0

Zr Cd Cd Re
Zr Cd Cd Re 0 3 - o o 1 2 o o o 