data_KNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2P
_chemical_formula_sum   'K1 Nb2 P1'
_cell_volume   93.68
_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  0.68  0.68  0.93  1.0
  Nb  Nb1  1  0.0  0.0  0.8  1.0
  Nb  Nb2  1  0.68  0.68  0.35  1.0
  P  P3  1  0.0  0.0  0.39  1.0

data_KNb2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNb2P
_chemical_formula_sum   'K2 Nb4 P2'
_cell_volume   187.37
_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  0.18  0.5  0.93  1.0
  Nb  Nb1  2  0.0  0.0  0.8  1.0
  Nb  Nb2  2  0.18  0.5  0.35  1.0
  P  P3  2  0.0  0.0  0.39  1.0

K Nb Nb P
K Nb Nb P 0 1 + + o 2 3 + + o 