data_[K8B2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [9.6838]
_cell_length_b [9.6838]
_cell_length_c [7.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [137]
_chemical_formula_structural [K4BTe4]
_chemical_formula_sum '[K8 B2 Te8]'
_cell_volume [684.4494]
_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  8  0.0000  0.2675  0.6600  1
  B  B1  2  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.0000  0.2049  0.1652  1
]