data_NdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAg2
_chemical_formula_sum   'Nd1 Ag2'
_cell_volume   70.52
_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
  Nd  Nd2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.41  0.39  0.75  1.0
  Ag  Ag1  1  0.0  0.78  0.75  1.0

data_NdAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAg2
_chemical_formula_sum   'Nd1 Ag2'
_cell_volume   70.52
_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
  Nd  Nd0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.75  0.0  0.78  1.0
  Ag  Ag2  1  0.75  0.41  0.39  1.0

Nd Ag Ag
Nd Ag Ag 0 2 o - - 0 1 o o - 1 2 o - o 1 2 + o o 