data_Cd2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.95
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiAg
_chemical_formula_sum   'Cd2 Ni1 Ag1'
_cell_volume   70.7
_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  0.89  1.0
  Cd  Cd2  1  0.5  0.97  0.67  1.0
  Ni  Ni3  1  0.0  0.0  0.97  1.0
  Ag  Ag0  1  0.5  0.97  0.4  1.0

data_Cd2NiAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.95
_cell_length_b   3.0
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2NiAg
_chemical_formula_sum   'Cd2 Ni1 Ag1'
_cell_volume   70.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.89  1.0
  Cd  Cd1  1  0.97  0.5  0.67  1.0
  Ni  Ni2  1  0.0  0.0  0.97  1.0
  Ag  Ag3  1  0.97  0.5  0.4  1.0

Cd Cd Ni Ag
Cd Cd Ni Ag 0 2 o o o 0 1 o - o 0 1 - - o 1 3 o o o 