data_K4BP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   35.99
_cell_angle_beta   35.99
_cell_angle_gamma   35.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4BP2
_chemical_formula_sum   'K4 B1 P2'
_cell_volume   233.56
_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  0.29  1.0
  K  K2  1  0.0  0.0  0.24  1.0
  K  K3  1  0.0  0.0  0.91  1.0
  K  K4  1  0.0  0.0  0.62  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P5  1  0.0  0.0  0.74  1.0
  P  P6  1  0.0  0.0  0.79  1.0

data_K4BP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.75
_cell_length_b   5.63
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   110.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K4BP2
_chemical_formula_sum   'K8 B2 P4'
_cell_volume   467.12
_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  -0.0  0.0  0.71  1.0
  K  K1  2  -0.0  0.0  0.76  1.0
  K  K2  2  -0.0  0.0  0.38  1.0
  K  K3  2  -0.0  0.0  0.09  1.0
  B  B4  2  0.0  0.0  0.0  1.0
  P  P5  2  -0.0  0.0  0.26  1.0
  P  P6  2  -0.0  0.0  0.21  1.0

K K K K B P P
K K K K B P P 0 1 o o o 2 4 o o + 3 5 o o o 5 6 o o o 