data_[Ta1Cr3Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  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 [5.9306]
_cell_length_b [3.4600]
_cell_length_c [12.9146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaCr3(AgS4)2]
_chemical_formula_sum '[Ta1 Cr3 Ag2 S8]'
_cell_volume [265.0063]
_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
[
  Ta  Ta0  1  0.4882  0.5000  0.7486  1.0
  Cr  Cr1  1  0.0324  0.0000  0.7503  1.0
  Cr  Cr2  1  0.5073  0.5000  0.2575  1.0
  Cr  Cr3  1  0.9739  0.0000  0.2436  1.0
  Ag  Ag4  1  0.4823  0.5000  0.0093  1.0
  Ag  Ag5  1  0.9940  0.0000  0.4917  1.0
  S  S6  1  0.1547  0.5000  0.3463  1.0
  S  S7  1  0.1698  0.5000  0.8642  1.0
  S  S8  1  0.3265  0.0000  0.1539  1.0
  S  S9  1  0.3448  0.0000  0.6305  1.0
  S  S10  1  0.6576  0.0000  0.3593  1.0
  S  S11  1  0.6910  0.0000  0.8549  1.0
  S  S12  1  0.8223  0.5000  0.1416  1.0
  S  S13  1  0.8553  0.5000  0.6482  1.0
]