data_[Ta10S11]
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 [8.5051]
_cell_length_b [8.8991]
_cell_length_c [19.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [116.0769]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta10S11]
_chemical_formula_sum '[Ta10 S11]'
_cell_volume [1332.3416]
_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  0.0525  0.0389  0.5065  1
  Ta  Ta1  1  0.1661  0.3702  0.5721  1
  Ta  Ta2  1  0.1946  0.6467  0.4805  1
  Ta  Ta3  1  0.1977  0.3120  0.4294  1
  Ta  Ta4  1  0.3959  0.0447  0.4308  1
  Ta  Ta5  1  0.4679  0.2560  0.5382  1
  Ta  Ta6  1  0.4821  0.5828  0.4815  1
  Ta  Ta7  1  0.6368  0.9474  0.4956  1
  Ta  Ta8  1  0.8395  0.5697  0.4495  1
  Ta  Ta9  1  0.8537  0.2682  0.4781  1
  S  S10  1  0.0198  0.4512  0.3817  1
  S  S11  1  0.0834  0.8544  0.4122  1
  S  S12  1  0.1234  0.6025  0.6032  1
  S  S13  1  0.2149  0.1318  0.6163  1
  S  S14  1  0.3927  0.9458  0.5516  1
  S  S15  1  0.4566  0.7959  0.3961  1
  S  S16  1  0.4739  0.5064  0.6001  1
  S  S17  1  0.5205  0.3555  0.4130  1
  S  S18  1  0.7725  0.4226  0.5593  1
  S  S19  1  0.7876  0.7722  0.5183  1
  S  S20  1  0.8679  0.1249  0.5859  1
]