data_CrCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.21
_cell_angle_alpha   100.56
_cell_angle_beta   100.56
_cell_angle_gamma   35.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ag
_chemical_formula_sum   'Cr1 Cd2 Ag1'
_cell_volume   77.2
_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  0.05  0.0  0.27  1.0
  Cd  Cd2  1  0.7  0.0  0.84  1.0
  Ag  Ag0  1  0.38  0.0  0.55  1.0

data_CrCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.12
_cell_length_c   5.21
_cell_angle_alpha   100.56
_cell_angle_beta   90.0
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ag
_chemical_formula_sum   'Cr1 Cd2 Ag1'
_cell_volume   77.2
_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  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.3  0.16  1.0
  Cd  Cd2  1  0.0  0.95  0.73  1.0
  Ag  Ag3  1  0.0  0.62  0.45  1.0

Cr Cd Cd Ag