data_BaB3P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   15.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   56.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB3P5
_chemical_formula_sum   'Ba2 B6 P10'
_cell_volume   411.09
_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  Ba6  1  0.92  0.6  0.64  1.0
  Ba  Ba7  1  0.92  0.4  0.71  1.0
  B  B0  1  0.19  0.76  0.61  1.0
  B  B1  1  0.64  0.76  0.61  1.0
  B  B2  1  0.92  0.77  0.6  1.0
  B  B3  1  0.64  0.24  0.53  1.0
  B  B4  1  0.19  0.24  0.53  1.0
  B  B5  1  0.92  0.23  0.52  1.0
  P  P8  1  0.82  0.3  0.9  1.0
  P  P9  1  0.01  0.7  0.97  1.0
  P  P10  1  0.82  0.7  0.97  1.0
  P  P11  1  0.01  0.3  0.9  1.0
  P  P12  1  0.28  0.6  0.57  1.0
  P  P13  1  0.92  0.97  0.55  1.0
  P  P14  1  0.55  0.6  0.57  1.0
  P  P15  1  0.55  0.4  0.5  1.0
  P  P16  1  0.92  0.03  0.48  1.0
  P  P17  1  0.28  0.4  0.5  1.0

data_BaB3P5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.58
_cell_length_c   15.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB3P5
_chemical_formula_sum   'Ba2 B6 P10'
_cell_volume   411.09
_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  Ba0  1  0.4  0.48  0.36  1.0
  Ba  Ba1  1  0.6  0.69  0.29  1.0
  B  B2  1  0.23  0.32  0.4  1.0
  B  B3  1  0.24  0.05  0.39  1.0
  B  B4  1  0.24  0.6  0.39  1.0
  B  B5  1  0.76  0.12  0.47  1.0
  B  B6  1  0.76  0.57  0.47  1.0
  B  B7  1  0.77  0.85  0.48  1.0
  P  P8  1  0.03  0.12  0.45  1.0
  P  P9  1  0.3  0.3  0.03  1.0
  P  P10  1  0.3  0.48  0.03  1.0
  P  P11  1  0.4  0.12  0.43  1.0
  P  P12  1  0.4  0.85  0.43  1.0
  P  P13  1  0.6  0.05  0.5  1.0
  P  P14  1  0.6  0.32  0.5  1.0
  P  P15  1  0.7  0.69  0.1  1.0
  P  P16  1  0.7  0.87  0.1  1.0
  P  P17  1  0.97  0.05  0.52  1.0

Ba Ba B B B B B B P P P P P P P P P P