data_[K4Ti2Be2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.6331]
_cell_length_b [7.6331]
_cell_length_c [10.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K2TiBeTe4]
_chemical_formula_sum '[K4 Ti2 Be2 Te8]'
_cell_volume [590.7471]
_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  0.0000  0.0000  0.0000  1
  K  K1  2  0.0000  0.5000  0.7500  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Be  Be3  2  0.0000  0.5000  0.2500  1
  Te  Te4  8  0.1455  0.2601  0.3709  1
]