data_NbSiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiAg2
_chemical_formula_sum   'Nb1 Si1 Ag2'
_cell_volume   69.31
_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
  Nb  Nb2  1  0.68  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.34  0.31  0.4  1.0
  Ag  Ag1  1  0.34  0.69  0.4  1.0

data_NbSiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   119.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiAg2
_chemical_formula_sum   'Nb1 Si1 Ag2'
_cell_volume   69.31
_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
  Nb  Nb0  1  0.0  0.68  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.4  0.34  0.31  1.0
  Ag  Ag3  1  0.4  0.34  0.69  1.0

Nb Si Ag Ag
Nb Si Ag Ag 0 1 + o o 0 3 o - o 1 2 o o o 2 3 o o o 