data_[K2Al4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8175]
_cell_length_b [4.0200]
_cell_length_c [7.3074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KAl2Te]
_chemical_formula_sum '[K2 Al4 Te2]'
_cell_volume [255.7204]
_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  0.0532  0.5000  0.5154  1
  Al  Al1  2  0.2219  0.0000  0.9239  1
  Al  Al2  2  0.4169  0.5000  0.8647  1
  Te  Te3  2  0.3080  0.5000  0.1960  1
]