data_Nb2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   137.38
_cell_angle_beta   132.13
_cell_angle_gamma   66.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSb
_chemical_formula_sum   'Nb2 Ag1 Sb1'
_cell_volume   75.03
_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  Nb1  1  0.0  0.16  0.21  1.0
  Nb  Nb2  1  0.94  0.0  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.47  1.0

data_Nb2AgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.33
_cell_length_c   5.33
_cell_angle_alpha   113.93
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSb
_chemical_formula_sum   'Nb2 Ag1 Sb1'
_cell_volume   75.03
_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  0.27  0.33  1.0
  Nb  Nb1  1  0.84  0.04  0.04  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.47  0.47  1.0

Nb Nb Ag Sb
Nb Nb Ag Sb 0 2 o o o 1 3 + o o 