data_Ba3BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   9.91
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3BP
_chemical_formula_sum   'Ba6 B2 P2'
_cell_volume   332.82
_cell_formula_units_Z   2
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  Ba2  1  0.42  0.48  0.53  1.0
  Ba  Ba3  1  0.69  0.43  0.14  1.0
  Ba  Ba4  1  0.69  0.31  0.11  1.0
  Ba  Ba5  1  0.42  0.35  0.57  1.0
  Ba  Ba6  1  0.42  0.6  0.57  1.0
  Ba  Ba7  1  0.69  0.55  0.11  1.0
  B  B0  1  0.36  0.48  0.76  1.0
  B  B1  1  0.75  0.43  0.91  1.0
  P  P8  1  0.59  0.48  0.01  1.0
  P  P9  1  0.52  0.43  0.66  1.0

data_Ba3BP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.92
_cell_length_b   5.96
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.71
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba3BP
_chemical_formula_sum   'Ba6 B2 P2'
_cell_volume   332.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.27  0.6  1.0
  Ba  Ba1  2  0.13  0.27  0.35  1.0
  Ba  Ba2  2  0.13  0.3  0.48  1.0
  B  B3  2  0.19  0.07  0.48  1.0
  P  P4  2  0.04  0.18  0.52  1.0

Ba Ba Ba Ba Ba Ba B B P P