data_CrCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81
_cell_length_b   9.81
_cell_length_c   9.81
_cell_angle_alpha   17.03
_cell_angle_beta   17.03
_cell_angle_gamma   17.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ag
_chemical_formula_sum   'Cr1 Cd2 Ag1'
_cell_volume   70.58
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.63  1.0
  Cd  Cd2  1  0.0  0.0  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.49  1.0

data_CrCd2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   99.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCd2Ag
_chemical_formula_sum   'Cr2 Cd4 Ag2'
_cell_volume   141.16
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.64  1.0
  Cd  Cd2  2  0.0  0.0  0.37  1.0
  Ag  Ag3  2  -0.0  0.0  0.51  1.0

Cr Cd Cd Ag
Cr Cd Cd Ag 0 0 o + - 0 0 + - o 0 0 + o - 1 3 o o o 2 3 o o o 