data_[K6Te18P6]
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 [P3_121]
_cell_length_a [7.8403]
_cell_length_b [7.8403]
_cell_length_c [20.3559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [KTe3P]
_chemical_formula_sum '[K6 Te18 P6]'
_cell_volume [1083.6523]
_cell_formula_units_Z [6]
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  6  0.2658  0.5316  0.2469  1
  Te  Te1  6  0.0206  0.7383  0.5603  1
  Te  Te2  6  0.0903  0.2945  0.7295  1
  Te  Te3  6  0.1944  0.7001  0.0869  1
  P  P4  6  0.0529  0.9072  0.1136  1
]