data_[Nb6Ag2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9167]
_cell_length_b [4.1482]
_cell_length_c [18.7366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nb3AgAs4]
_chemical_formula_sum '[Nb6 Ag2 As8]'
_cell_volume [1003.9163]
_cell_formula_units_Z [2]
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  2  0.0357  0.0000  0.4811  1
  Nb  Nb1  2  0.1994  0.5000  0.4739  1
  Nb  Nb2  2  0.3763  0.0000  0.4984  1
  Ag  Ag3  2  0.1931  0.0000  0.5930  1
  As  As4  2  0.0092  0.5000  0.3935  1
  As  As5  2  0.0575  0.5000  0.5832  1
  As  As6  2  0.2315  0.0000  0.3971  1
  As  As7  2  0.3477  0.5000  0.5798  1
]