data_[Cs1U2Pt2Se6]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0770]
_cell_length_b [7.3725]
_cell_length_c [7.9167]
_cell_angle_alpha [115.3535]
_cell_angle_beta [92.1435]
_cell_angle_gamma [117.3510]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsU2(PtSe3)2]
_chemical_formula_sum '[Cs1 U2 Pt2 Se6]'
_cell_volume [317.1221]
_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  0.5000  0.0000  0.5000  1
  U  U1  2  0.1375  0.6860  0.8338  1
  Pt  Pt2  2  0.1668  0.1335  0.1765  1
  Se  Se3  2  0.0051  0.7411  0.1694  1
  Se  Se4  2  0.2115  0.4585  0.4806  1
  Se  Se5  2  0.4233  0.1747  0.9722  1
]