data_CaCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Re
_chemical_formula_sum   'Ca1 Cd2 Re1'
_cell_volume   81.96
_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
  Ca  Ca0  1  0.0  0.0  0.58  1.0
  Cd  Cd1  1  0.91  0.0  0.6  1.0
  Cd  Cd2  1  0.0  0.0  0.11  1.0
  Re  Re3  1  0.91  0.0  0.92  1.0

data_CaCd2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Re
_chemical_formula_sum   'Ca1 Cd2 Re1'
_cell_volume   81.96
_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
  Ca  Ca0  1  0.0  0.0  0.58  1.0
  Cd  Cd1  1  0.0  0.0  0.11  1.0
  Cd  Cd2  1  0.91  0.0  0.6  1.0
  Re  Re3  1  0.91  0.0  0.92  1.0

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