data_[K8Zr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4111]
_cell_length_b [9.3410]
_cell_length_c [7.7858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2ZrTe3]
_chemical_formula_sum '[K8 Zr4 Te12]'
_cell_volume [966.7411]
_cell_formula_units_Z [4]
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  0.1570  0.3295  0.6827  1.0
  Zr  Zr1  4  0.0000  0.0855  0.2500  1.0
  Te  Te2  8  0.1475  0.0365  0.0051  1.0
  Te  Te3  4  0.0000  0.3745  0.2500  1.0
]