data_[K6U6Be2Te16]
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
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7585]
_cell_length_b [9.1760]
_cell_length_c [9.5266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3U3BeTe8]
_chemical_formula_sum '[K6 U6 Be2 Te16]'
_cell_volume [1129.3222]
_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  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  U  U2  4  0.2500  0.2500  0.5000  1
  U  U3  2  0.0000  0.5000  0.5000  1
  Be  Be4  2  0.0000  0.0000  0.5000  1
  Te  Te5  8  0.0186  0.2673  0.2859  1
  Te  Te6  4  0.1864  0.0000  0.6674  1
  Te  Te7  4  0.2383  0.5000  0.7124  1
]