data_[K4Al4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5625]
_cell_length_b [3.9334]
_cell_length_c [8.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAlP]
_chemical_formula_sum '[K4 Al4 P4]'
_cell_volume [294.5683]
_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  4  0.0671  0.0000  0.8580  1.0
  Al  Al1  4  0.1490  0.5000  0.5433  1.0
  P  P2  4  0.2094  0.5000  0.2854  1.0
]