data_[K4U4Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9955]
_cell_length_b [8.4231]
_cell_length_c [7.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2U2Se7]
_chemical_formula_sum '[K4 U4 Se14]'
_cell_volume [713.9587]
_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  4  0.0000  0.2357  0.5000  1
  U  U1  4  0.2329  0.0000  0.0128  1
  Se  Se2  8  0.2350  0.2629  0.2479  1
  Se  Se3  4  0.0433  0.5000  0.8544  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]