data_KAlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.48
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   95.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlP2
_chemical_formula_sum   'K1 Al1 P2'
_cell_volume   88.11
_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  0.65  0.0  0.33  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.62  0.74  0.64  1.0
  P  P3  1  0.48  0.74  0.03  1.0

data_KAlP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.8
_cell_length_c   6.7
_cell_angle_alpha   95.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlP2
_chemical_formula_sum   'K1 Al1 P2'
_cell_volume   88.11
_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  0.35  0.67  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.26  0.38  0.36  1.0
  P  P3  1  0.26  0.52  0.97  1.0

K Al P P