data_Nb2AgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   136.78
_cell_angle_beta   133.69
_cell_angle_gamma   65.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSn
_chemical_formula_sum   'Nb2 Ag1 Sn1'
_cell_volume   74.48
_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  0.1  0.25  1.0
  Nb  Nb2  1  0.97  0.0  0.25  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.5  1.0

data_Nb2AgSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.2
_cell_length_c   5.34
_cell_angle_alpha   113.15
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgSn
_chemical_formula_sum   'Nb2 Ag1 Sn1'
_cell_volume   74.48
_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  0.72  0.75  0.72  1.0
  Nb  Nb1  1  0.75  0.85  0.85  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.5  0.5  0.5  1.0

Nb Nb Ag Sn