data_Ba5P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47
_cell_length_b   9.47
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5P
_chemical_formula_sum   'Ba5 P1'
_cell_volume   349.65
_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
  Ba  Ba0  1  0.22  0.0  0.25  1.0
  Ba  Ba1  1  0.12  0.95  0.25  1.0
  Ba  Ba2  1  0.39  0.25  0.25  1.0
  Ba  Ba3  1  0.73  0.73  0.0  1.0
  Ba  Ba4  1  0.0  0.47  0.0  1.0
  P  P5  1  0.0  0.0  0.0  1.0

data_Ba5P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   9.47
_cell_length_c   9.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5P
_chemical_formula_sum   'Ba5 P1'
_cell_volume   349.65
_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
  Ba  Ba0  1  0.0  -0.0  0.47  1.0
  Ba  Ba1  1  0.0  0.73  0.73  1.0
  Ba  Ba2  1  0.25  0.12  0.95  1.0
  Ba  Ba3  1  0.25  0.22  0.0  1.0
  Ba  Ba4  1  0.25  0.39  0.25  1.0
  P  P5  1  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Ba P
Ba Ba Ba Ba Ba P 0 1 o - o 0 2 o o o 0 4 o - o 1 4 o o + 1 4 o o o 1 5 o + o 2 4 + o o 2 4 o o o 3 5 + + o 3 4 + o o 4 5 o + o 4 5 o o o 4 4 o o + 