data_[Ta9S11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6728]
_cell_length_b [8.4373]
_cell_length_c [19.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.6296]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta9S11]
_chemical_formula_sum '[Ta9 S11]'
_cell_volume [1207.6318]
_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  0.0081  0.9736  0.5295  1
  Ta  Ta1  1  0.1943  0.6754  0.5338  1
  Ta  Ta2  1  0.2856  0.4375  0.4294  1
  Ta  Ta3  1  0.3124  0.0453  0.4346  1
  Ta  Ta4  1  0.3663  0.3890  0.5517  1
  Ta  Ta5  1  0.5979  0.9351  0.5019  1
  Ta  Ta6  1  0.6265  0.3087  0.4368  1
  Ta  Ta7  1  0.7154  0.6481  0.4974  1
  Ta  Ta8  1  0.9495  0.2837  0.5231  1
  S  S9  1  0.0543  0.1481  0.4188  1
  S  S10  1  0.1181  0.4371  0.6187  1
  S  S11  1  0.3289  0.9987  0.5569  1
  S  S12  1  0.3431  0.7566  0.4230  1
  S  S13  1  0.4961  0.6887  0.5858  1
  S  S14  1  0.6022  0.5539  0.3807  1
  S  S15  1  0.6288  0.0615  0.3839  1
  S  S16  1  0.6761  0.3724  0.5581  1
  S  S17  1  0.7973  0.0570  0.6011  1
  S  S18  1  0.9323  0.7222  0.5967  1
  S  S19  1  0.9666  0.5072  0.4381  1
]