data_Nb2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   132.62
_cell_angle_beta   132.62
_cell_angle_gamma   69.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgAs
_chemical_formula_sum   'Nb2 Ag1 As1'
_cell_volume   69.2
_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  0.04  0.0  0.09  1.0
  Nb  Nb3  1  0.0  0.04  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Nb2AgAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   124.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2AgAs
_chemical_formula_sum   'Nb4 Ag2 As2'
_cell_volume   138.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.43  0.48  0.95  1.0
  Ag  Ag1  2  0.33  0.5  0.83  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Nb Nb Ag As