data_Cd2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   131.56
_cell_angle_beta   131.56
_cell_angle_gamma   70.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReAg
_chemical_formula_sum   'Cd2 Re1 Ag1'
_cell_volume   73.6
_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
  Cd  Cd1  1  0.1  0.0  0.09  1.0
  Cd  Cd2  1  0.0  0.0  0.17  1.0
  Re  Re3  1  0.0  0.1  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Cd2ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.12
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReAg
_chemical_formula_sum   'Cd2 Re1 Ag1'
_cell_volume   73.6
_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
  Cd  Cd0  1  0.09  0.98  0.98  1.0
  Cd  Cd1  1  0.17  0.17  0.17  1.0
  Re  Re2  1  0.98  0.09  0.98  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Cd Cd Re Ag