data_NiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   103.2
_cell_angle_beta   103.2
_cell_angle_gamma   122.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2
_chemical_formula_sum   'Ni2 Ag4'
_cell_volume   95.93
_cell_formula_units_Z   2
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
  Ni  Ni4  1  0.0  0.0  0.63  1.0
  Ni  Ni5  1  0.0  0.0  0.21  1.0
  Ag  Ag0  1  0.14  0.0  0.42  1.0
  Ag  Ag1  1  1.0  0.14  0.42  1.0
  Ag  Ag2  1  0.15  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.14  0.0  1.0

data_NiAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   8.9
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   118.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAg2
_chemical_formula_sum   'Ni4 Ag8'
_cell_volume   191.86
_cell_formula_units_Z   4
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
  Ni  Ni0  2  0.0  0.0  0.37  1.0
  Ni  Ni1  2  0.0  0.0  0.79  1.0
  Ag  Ag2  4  0.42  0.43  0.0  1.0
  Ag  Ag3  4  0.43  0.43  0.58  1.0

Ni Ni Ag Ag Ag Ag