data_NbCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.6
_cell_angle_alpha   100.18
_cell_angle_beta   100.18
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Ag
_chemical_formula_sum   'Nb1 Cr2 Ag1'
_cell_volume   59.35
_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  Nb3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.93  0.79  0.22  1.0
  Cr  Cr2  1  0.93  0.21  0.22  1.0
  Ag  Ag0  1  0.74  0.0  0.0  1.0

data_NbCr2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   116.5
_cell_angle_beta   100.18
_cell_angle_gamma   100.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Ag
_chemical_formula_sum   'Nb1 Cr2 Ag1'
_cell_volume   59.35
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.22  0.93  0.79  1.0
  Cr  Cr2  1  0.22  0.93  0.21  1.0
  Ag  Ag3  1  0.0  0.74  0.0  1.0

Nb Cr Cr Ag
Nb Cr Cr Ag 0 3 - o o 0 2 - o o 0 1 - - o 2 3 o o o 