data_[Nb1Ag3As3]
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 [Pmm2]
_cell_length_a [4.6020]
_cell_length_b [5.3612]
_cell_length_c [18.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nb(AgAs)3]
_chemical_formula_sum '[Nb1 Ag3 As3]'
_cell_volume [451.2159]
_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  0.5000  0.5000  0.5293  1
  Ag  Ag1  2  0.0000  0.2535  0.5890  1
  Ag  Ag2  1  0.0000  0.5000  0.4144  1
  As  As3  2  0.5000  0.2413  0.4092  1
  As  As4  1  0.5000  0.0000  0.5597  1
]