data_YNb2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.68
_cell_angle_alpha   97.76
_cell_angle_beta   97.76
_cell_angle_gamma   33.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ag
_chemical_formula_sum   'Y1 Nb2 Ag1'
_cell_volume   84.0
_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
  Y  Y3  1  0.49  0.0  0.6  1.0
  Nb  Nb1  1  0.34  0.0  0.32  1.0
  Nb  Nb2  1  0.96  0.0  0.64  1.0
  Ag  Ag0  1  0.12  0.0  0.5  1.0

data_YNb2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.19
_cell_length_c   5.68
_cell_angle_alpha   97.76
_cell_angle_beta   90.0
_cell_angle_gamma   106.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ag
_chemical_formula_sum   'Y1 Nb2 Ag1'
_cell_volume   84.0
_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
  Y  Y0  1  0.0  0.51  0.4  1.0
  Nb  Nb1  1  0.0  0.04  0.36  1.0
  Nb  Nb2  1  0.0  0.66  0.68  1.0
  Ag  Ag3  1  0.0  0.88  0.5  1.0

Y Nb Nb Ag
Y Nb Nb Ag 0 3 o o o 0 1 o o o 1 3 o o o 2 3 + o o 