data_Ba2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2P
_chemical_formula_sum   'Ba6 P3'
_cell_volume   317.94
_cell_formula_units_Z   3
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  0.33  0.0  0.43  1.0
  Ba  Ba1  1  0.84  0.02  0.43  1.0
  Ba  Ba2  1  0.18  0.5  0.43  1.0
  Ba  Ba3  1  0.12  0.0  0.0  1.0
  Ba  Ba4  1  0.44  0.44  0.0  1.0
  Ba  Ba5  1  0.78  0.08  0.0  1.0
  P  P6  1  0.0  0.01  0.43  1.0
  P  P7  1  0.34  0.51  0.43  1.0
  P  P8  1  0.0  0.0  0.0  1.0

data_Ba2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2P
_chemical_formula_sum   'Ba6 P3'
_cell_volume   317.94
_cell_formula_units_Z   3
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  0.12  0.0  1.0
  Ba  Ba1  1  0.0  0.78  0.08  1.0
  Ba  Ba2  1  0.0  0.44  0.44  1.0
  Ba  Ba3  1  0.43  0.18  0.5  1.0
  Ba  Ba4  1  0.43  0.33  0.0  1.0
  Ba  Ba5  1  0.43  0.84  0.02  1.0
  P  P6  1  0.0  0.0  0.0  1.0
  P  P7  1  0.43  0.0  0.01  1.0
  P  P8  1  0.43  0.34  0.51  1.0

Ba Ba Ba Ba Ba Ba P P P