data_BaCdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   126.47
_cell_angle_beta   114.87
_cell_angle_gamma   89.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdAg2
_chemical_formula_sum   'Ba1 Cd1 Ag2'
_cell_volume   115.5
_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
  Ba  Ba2  1  0.0  0.97  0.02  1.0
  Cd  Cd3  1  0.0  0.0  0.58  1.0
  Ag  Ag0  1  0.0  0.97  0.87  1.0
  Ag  Ag1  1  0.0  0.0  0.3  1.0

data_BaCdAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   65.13
_cell_angle_beta   63.24
_cell_angle_gamma   63.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdAg2
_chemical_formula_sum   'Ba1 Cd1 Ag2'
_cell_volume   115.5
_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
  Ba  Ba0  1  0.02  0.0  0.94  1.0
  Cd  Cd1  1  0.58  0.0  0.42  1.0
  Ag  Ag2  1  0.3  0.0  0.7  1.0
  Ag  Ag3  1  0.87  0.0  0.09  1.0

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