data_NbCoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.14
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   33.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoAg2
_chemical_formula_sum   'Nb1 Co1 Ag2'
_cell_volume   64.32
_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  0.7  0.0  0.43  1.0
  Co  Co2  1  0.15  0.0  0.38  1.0
  Ag  Ag0  1  0.23  0.0  0.01  1.0
  Ag  Ag1  1  0.51  0.0  0.82  1.0

data_NbCoAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.79
_cell_length_c   5.14
_cell_angle_alpha   100.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoAg2
_chemical_formula_sum   'Nb1 Co1 Ag2'
_cell_volume   64.32
_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  0.3  0.57  1.0
  Co  Co1  1  0.0  0.85  0.62  1.0
  Ag  Ag2  1  0.0  0.49  0.18  1.0
  Ag  Ag3  1  0.0  0.77  0.99  1.0

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