data_NbAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   150.0
_cell_angle_beta   134.34
_cell_angle_gamma   55.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2As
_chemical_formula_sum   'Nb1 Ag2 As1'
_cell_volume   71.01
_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  0.0  0.0  0.17  1.0
  Ag  Ag0  1  0.51  0.0  0.46  1.0
  Ag  Ag1  1  0.0  0.27  0.72  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_NbAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.54
_cell_length_c   5.85
_cell_angle_alpha   112.83
_cell_angle_beta   105.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAg2As
_chemical_formula_sum   'Nb1 Ag2 As1'
_cell_volume   71.01
_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  0.83  0.83  0.83  1.0
  Ag  Ag1  1  0.06  0.54  0.06  1.0
  Ag  Ag2  1  0.28  0.55  0.55  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Nb Ag Ag As