data_[Cs1U2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8903]
_cell_length_b [4.0510]
_cell_length_c [8.7161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs(US2)2]
_chemical_formula_sum '[Cs1 U2 S4]'
_cell_volume [234.3715]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1
  U  U1  1  0.0000  0.5000  0.5000  1
  U  U2  1  0.5000  0.0000  0.5000  1
  S  S3  2  0.2225  0.0000  0.6720  1
  S  S4  2  0.2751  0.5000  0.3248  1
]