data_[U4Ti4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6549]
_cell_length_b [13.4544]
_cell_length_c [8.1810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [U2Ti2S7]
_chemical_formula_sum '[U4 Ti4 S14]'
_cell_volume [402.3018]
_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  4  0.0000  0.2647  0.4032  1
  Ti  Ti1  2  0.0000  0.0000  0.2208  1
  Ti  Ti2  2  0.0000  0.5000  0.1723  1
  S  S3  4  0.0000  0.1298  0.7104  1
  S  S4  4  0.0000  0.1708  0.1147  1
  S  S5  4  0.0000  0.3978  0.9017  1
  S  S6  2  0.0000  0.5000  0.4930  1
]