data_[K2Cr2Te8P4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5899]
_cell_length_b [10.9578]
_cell_length_c [6.9274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KCrTe4P2Se3]
_chemical_formula_sum '[K2 Cr2 Te8 P4 Se6]'
_cell_volume [719.6790]
_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  0.0000  0.0455  0.5000  1
  Cr  Cr1  2  0.0000  0.5010  0.0000  1
  Te  Te2  4  0.1647  0.6590  0.2331  1
  Te  Te3  4  0.1799  0.3441  0.2213  1
  P  P4  4  0.1976  0.8576  0.0697  1
  Se  Se5  4  0.1589  0.4816  0.7393  1
  Se  Se6  2  0.0000  0.9844  0.0000  1
]