data_[K1Si2P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4802]
_cell_length_b [5.5463]
_cell_length_c [18.4179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [104.3790]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSi2P3]
_chemical_formula_sum '[K1 Si2 P3]'
_cell_volume [542.2652]
_cell_formula_units_Z [1]
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  1  0.5436  0.4276  0.5030  1
  Si  Si1  1  0.7813  0.9864  0.5449  1
  Si  Si2  1  0.9863  0.1940  0.4521  1
  P  P3  1  0.1042  0.5736  0.4073  1
  P  P4  1  0.1314  0.8462  0.4998  1
  P  P5  1  0.4016  0.8698  0.5929  1
]