data_[Ta4Ag1S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8241]
_cell_length_b [3.3582]
_cell_length_c [14.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta4AgS8]
_chemical_formula_sum '[Ta4 Ag1 S8]'
_cell_volume [271.4380]
_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  0.0641  0.0000  0.2357  1.0
  Ta  Ta1  1  0.4304  0.5000  0.7635  1.0
  Ta  Ta2  1  0.5906  0.5000  0.2360  1.0
  Ta  Ta3  1  0.9120  0.0000  0.7638  1.0
  Ag  Ag4  1  0.3476  0.5000  0.5216  1.0
  S  S5  1  0.2115  0.5000  0.1289  1.0
  S  S6  1  0.2115  0.0000  0.6517  1.0
  S  S7  1  0.2821  0.5000  0.3465  1.0
  S  S8  1  0.2889  0.0000  0.8720  1.0
  S  S9  1  0.7036  0.0000  0.1221  1.0
  S  S10  1  0.7240  0.5000  0.6484  1.0
  S  S11  1  0.7801  0.0000  0.3512  1.0
  S  S12  1  0.7929  0.5000  0.8766  1.0
]