data_[U2Ta2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4396]
_cell_length_b [5.9647]
_cell_length_c [7.1450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [UTaS4]
_chemical_formula_sum '[U2 Ta2 S8]'
_cell_volume [279.6365]
_cell_formula_units_Z [2]
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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Ta  Ta1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1922  0.2226  0.3609  1
  S  S3  4  0.3536  0.7312  0.6739  1
]