data_KNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2P
_chemical_formula_sum   'K1 Nb2 P1'
_cell_volume   80.09
_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  0.88  0.0  0.0  1.0
  Nb  Nb1  1  0.44  0.46  0.37  1.0
  Nb  Nb2  1  0.44  0.54  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_KNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.76
_cell_length_c   5.85
_cell_angle_alpha   119.53
_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   80.09
_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  0.0  0.88  1.0
  Nb  Nb1  1  0.37  0.46  0.9  1.0
  Nb  Nb2  1  0.37  0.54  0.98  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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