data_NbAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.15
_cell_angle_alpha   97.92
_cell_angle_beta   97.92
_cell_angle_gamma   60.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgSe2
_chemical_formula_sum   'Nb1 Ag1 Se2'
_cell_volume   81.58
_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  0.0  0.0  1.0
  Ag  Ag0  1  0.31  0.0  0.02  1.0
  Se  Se2  1  0.68  0.0  0.32  1.0
  Se  Se3  1  0.94  0.0  0.73  1.0

data_NbAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.15
_cell_angle_alpha   82.08
_cell_angle_beta   82.08
_cell_angle_gamma   60.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAgSe2
_chemical_formula_sum   'Nb1 Ag1 Se2'
_cell_volume   81.58
_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
  Ag  Ag1  1  0.69  0.0  0.02  1.0
  Se  Se2  1  0.06  0.0  0.73  1.0
  Se  Se3  1  0.32  0.0  0.32  1.0

Nb Ag Se Se