data_[Nb1Cr3Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8311]
_cell_length_b [3.4016]
_cell_length_c [12.8315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NbCr3(AgS4)2]
_chemical_formula_sum '[Nb1 Cr3 Ag2 S8]'
_cell_volume [254.3253]
_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  0.5416  0.5000  0.7471  1.0
  Cr  Cr1  1  0.0490  0.0000  0.2468  1.0
  Cr  Cr2  1  0.4521  0.5000  0.2527  1.0
  Cr  Cr3  1  0.9607  0.0000  0.7553  1.0
  Ag  Ag4  1  0.0071  0.0000  0.4946  1.0
  Ag  Ag5  1  0.5061  0.5000  0.0027  1.0
  S  S6  1  0.1420  0.5000  0.6539  1.0
  S  S7  1  0.1501  0.5000  0.1349  1.0
  S  S8  1  0.3231  0.0000  0.8524  1.0
  S  S9  1  0.3522  0.0000  0.3648  1.0
  S  S10  1  0.6577  0.0000  0.6229  1.0
  S  S11  1  0.6588  0.0000  0.1590  1.0
  S  S12  1  0.8419  0.5000  0.3390  1.0
  S  S13  1  0.8577  0.5000  0.8739  1.0
]