data_[K4Hf4Cr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0979]
_cell_length_b [12.3282]
_cell_length_c [8.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf2CrTe6]
_chemical_formula_sum '[K4 Hf4 Cr2 Te12]'
_cell_volume [742.7462]
_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  0.0000  0.1676  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3291  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2333  0.1599  0.6958  1.0
  Te  Te4  4  0.2404  0.5000  0.6888  1.0
]