data_K2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   128.6
_cell_angle_beta   128.6
_cell_angle_gamma   75.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AsP
_chemical_formula_sum   'K2 As1 P1'
_cell_volume   108.99
_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  0.0  0.0  0.49  1.0
  K  K2  1  0.0  0.46  0.24  1.0
  As  As0  1  0.46  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_K2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.68
_cell_angle_alpha   115.7
_cell_angle_beta   115.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AsP
_chemical_formula_sum   'K2 As1 P1'
_cell_volume   108.99
_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  0.22  0.46  0.22  1.0
  K  K1  1  0.51  0.0  0.51  1.0
  As  As2  1  0.76  0.0  0.22  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K K As P
K K As P 0 2 - o o 0 1 o - o 0 3 o o o 0 3 o o + 1 3 o o o 2 3 o o o 