data_[K4Ge4Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9049]
_cell_length_b [5.4630]
_cell_length_c [8.7120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ge2Te5]
_chemical_formula_sum '[K4 Ge4 Te10]'
_cell_volume [704.6746]
_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  0.0582  0.5000  0.3086  1.0
  Ge  Ge1  4  0.1574  0.0000  0.9464  1.0
  Te  Te2  4  0.0974  0.0000  0.5966  1.0
  Te  Te3  4  0.1738  0.5000  0.0513  1.0
  Te  Te4  2  0.0000  0.0000  0.0000  1.0
]