data_NbCrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrAg
_chemical_formula_sum   'Nb1 Cr1 Ag1'
_cell_volume   47.85
_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  0.0  0.67  0.66  1.0
  Cr  Cr1  1  0.0  0.0  0.81  1.0
  Ag  Ag0  1  0.31  0.33  0.13  1.0

data_NbCrAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrAg
_chemical_formula_sum   'Nb1 Cr1 Ag1'
_cell_volume   47.85
_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  0.66  0.0  0.67  1.0
  Cr  Cr1  1  0.81  0.0  0.0  1.0
  Ag  Ag2  1  0.13  0.31  0.33  1.0

Nb Cr Ag
Nb Cr Ag 0 1 o + o 1 2 o o + 