data_[K12Sb2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [8.0930]
_cell_length_b [8.0930]
_cell_length_c [11.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [132]
_chemical_formula_structural [K6SbP]
_chemical_formula_sum '[K12 Sb2 P2]'
_cell_volume [765.8656]
_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  8  0.2266  0.2266  0.1938  1.0
  K  K1  4  0.3322  0.3322  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.5000  0.5000  0.2500  1.0
]