data_Nb2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   150.99
_cell_angle_beta   125.48
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgCl
_chemical_formula_sum   'Nb2 Ag1 Cl1'
_cell_volume   73.08
_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  0.62  0.73  1.0
  Nb  Nb3  1  0.43  0.0  0.14  1.0
  Ag  Ag0  1  0.0  0.0  0.88  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Nb2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.24
_cell_length_c   5.72
_cell_angle_alpha   117.26
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgCl
_chemical_formula_sum   'Nb2 Ag1 Cl1'
_cell_volume   73.08
_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  0.27  0.88  0.88  1.0
  Nb  Nb1  1  0.29  0.86  0.29  1.0
  Ag  Ag2  1  0.12  0.12  0.12  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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