data_[K2U2Pt2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [6.6388]
_cell_length_b [6.3268]
_cell_length_c [9.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KUPtSe4]
_chemical_formula_sum '[K2 U2 Pt2 Se8]'
_cell_volume [374.1794]
_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
[
  K  K0  2  0.2291  0.2500  0.0346  1
  U  U1  2  0.2441  0.2500  0.5450  1
  Pt  Pt2  2  0.2422  0.7500  0.3860  1
  Se  Se3  4  0.0296  0.5167  0.7072  1
  Se  Se4  2  0.4555  0.7500  0.1927  1
  Se  Se5  2  0.4799  0.7500  0.6314  1
]