data_KAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.78
_cell_angle_alpha   93.13
_cell_angle_beta   93.13
_cell_angle_gamma   55.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlP2
_chemical_formula_sum   'K1 Al1 P2'
_cell_volume   101.63
_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  K1  1  0.62  0.0  0.71  1.0
  Al  Al0  1  0.43  0.0  0.93  1.0
  P  P2  1  0.12  0.0  0.19  1.0
  P  P3  1  0.11  0.0  0.1  1.0

data_KAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.27
_cell_length_c   6.78
_cell_angle_alpha   93.13
_cell_angle_beta   90.0
_cell_angle_gamma   117.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlP2
_chemical_formula_sum   'K1 Al1 P2'
_cell_volume   101.63
_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  0.0  0.38  0.29  1.0
  Al  Al1  1  0.0  0.57  0.07  1.0
  P  P2  1  0.0  0.88  0.81  1.0
  P  P3  1  0.0  0.89  0.9  1.0

K Al P P