data_NiAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   8.4
_cell_angle_alpha   152.07
_cell_angle_beta   152.07
_cell_angle_gamma   39.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg3
_chemical_formula_sum   'Ni2 Ag6'
_cell_volume   129.73
_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  Ni6  1  0.0  0.0  0.92  1.0
  Ni  Ni7  1  0.0  0.0  0.87  1.0
  Ag  Ag0  1  0.0  0.03  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.97  1.0
  Ag  Ag2  1  0.0  0.0  0.82  1.0
  Ag  Ag3  1  0.0  0.03  0.95  1.0
  Ag  Ag4  1  0.03  0.0  0.95  1.0
  Ag  Ag5  1  0.03  0.0  0.0  1.0

data_NiAg3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAg3
_chemical_formula_sum   'Ni4 Ag12'
_cell_volume   259.47
_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  0.08  1.0
  Ni  Ni1  2  0.0  0.0  0.13  1.0
  Ag  Ag2  4  0.01  0.01  0.03  1.0
  Ag  Ag3  4  0.01  0.01  0.08  1.0
  Ag  Ag4  2  0.0  0.0  0.03  1.0
  Ag  Ag5  2  0.0  0.0  0.18  1.0

Ni Ni Ag Ag Ag Ag Ag Ag
Ni Ni Ag Ag Ag Ag Ag Ag 0 5 o o o 0 6 o o o 0 1 o o o 1 5 o o o 1 4 o o o 1 6 o o o 2 3 o o - 3 7 o o + 