data_[K4Te4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0382]
_cell_length_b [6.5932]
_cell_length_c [10.1036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTeP2]
_chemical_formula_sum '[K4 Te4 P8]'
_cell_volume [468.8487]
_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  2  0.0257  0.7500  0.3885  1
  K  K1  2  0.2247  0.7500  0.0085  1
  Te  Te2  2  0.1568  0.2500  0.2648  1
  Te  Te3  2  0.2936  0.2500  0.8969  1
  P  P4  4  0.3925  0.5056  0.5802  1
  P  P5  2  0.4915  0.7500  0.7136  1
  P  P6  2  0.4945  0.7500  0.2991  1
]