data_KPCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   147.06
_cell_angle_beta   147.06
_cell_angle_gamma   47.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPCl
_chemical_formula_sum   'K1 P1 Cl1'
_cell_volume   138.22
_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  0.8  1.0
  P  P2  1  0.0  0.0  0.73  1.0
  Cl  Cl0  1  0.0  0.0  0.94  1.0

data_KPCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPCl
_chemical_formula_sum   'K2 P2 Cl2'
_cell_volume   276.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.3  0.5  0.8  1.0
  P  P1  2  0.23  0.5  0.73  1.0
  Cl  Cl2  2  0.44  0.5  0.94  1.0

K P Cl