data_CdIn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   143.37
_cell_angle_beta   127.68
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Ag
_chemical_formula_sum   'Cd1 In2 Ag1'
_cell_volume   95.36
_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  0.0  0.0  0.95  1.0
  In  In2  1  0.85  0.0  0.35  1.0
  In  In3  1  0.0  0.6  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_CdIn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.2
_cell_length_c   5.89
_cell_angle_alpha   116.16
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Ag
_chemical_formula_sum   'Cd1 In2 Ag1'
_cell_volume   95.36
_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  0.0  0.95  0.95  1.0
  In  In1  1  0.0  0.35  0.5  1.0
  In  In2  1  0.4  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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