data_TaBP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   10.22
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBP4
_chemical_formula_sum   'Ta4 B4 P16'
_cell_volume   439.08
_cell_formula_units_Z   4
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
  Ta  Ta20  1  0.94  0.67  0.11  1.0
  Ta  Ta21  1  0.98  0.56  0.11  1.0
  Ta  Ta22  1  0.9  0.56  0.37  1.0
  Ta  Ta23  1  0.86  0.67  0.37  1.0
  B  B0  1  0.96  0.0  0.28  1.0
  B  B1  1  0.96  0.11  0.46  1.0
  B  B2  1  0.88  0.0  0.2  1.0
  B  B3  1  0.88  0.11  0.02  1.0
  P  P4  1  0.28  0.81  0.28  1.0
  P  P5  1  0.64  0.41  0.28  1.0
  P  P6  1  0.64  0.7  0.46  1.0
  P  P7  1  0.28  0.52  0.46  1.0
  P  P8  1  0.56  0.41  0.2  1.0
  P  P9  1  0.2  0.81  0.2  1.0
  P  P10  1  0.2  0.52  0.02  1.0
  P  P11  1  0.56  0.7  0.02  1.0
  P  P12  1  0.71  0.69  0.83  1.0
  P  P13  1  0.05  0.53  0.83  1.0
  P  P14  1  0.05  0.8  0.38  1.0
  P  P15  1  0.71  0.42  0.38  1.0
  P  P16  1  0.13  0.53  0.64  1.0
  P  P17  1  0.79  0.69  0.64  1.0
  P  P18  1  0.79  0.42  0.1  1.0
  P  P19  1  0.13  0.8  0.1  1.0

data_TaBP4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   7.84
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBP4
_chemical_formula_sum   'Ta4 B4 P16'
_cell_volume   439.08
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.11  0.94  0.67  1.0
  Ta  Ta1  1  0.11  0.98  0.56  1.0
  Ta  Ta2  1  0.37  0.86  0.67  1.0
  Ta  Ta3  1  0.37  0.9  0.56  1.0
  B  B4  1  0.02  0.88  0.11  1.0
  B  B5  1  0.2  0.88  0.0  1.0
  B  B6  1  0.28  0.96  0.0  1.0
  B  B7  1  0.46  0.96  0.11  1.0
  P  P8  1  0.02  0.2  0.52  1.0
  P  P9  1  0.02  0.56  0.7  1.0
  P  P10  1  0.1  0.13  0.8  1.0
  P  P11  1  0.1  0.79  0.42  1.0
  P  P12  1  0.2  0.2  0.81  1.0
  P  P13  1  0.2  0.56  0.41  1.0
  P  P14  1  0.28  0.28  0.81  1.0
  P  P15  1  0.28  0.64  0.41  1.0
  P  P16  1  0.38  0.05  0.8  1.0
  P  P17  1  0.38  0.71  0.42  1.0
  P  P18  1  0.46  0.28  0.52  1.0
  P  P19  1  0.46  0.64  0.7  1.0
  P  P20  1  0.64  0.13  0.53  1.0
  P  P21  1  0.64  0.79  0.69  1.0
  P  P22  1  0.83  0.05  0.53  1.0
  P  P23  1  0.83  0.71  0.69  1.0

Ta Ta Ta Ta B B B B P P P P P P P P P P P P P P P P
Ta Ta Ta Ta B B B B P P P P P P P P P P P P P P P P 0 1 o o o 1 14 + o o 2 3 o o o 3 10 o o o 4 6 o o o 4 5 o o o 6 7 o o o 8 13 o o o 8 18 o o o 9 12 o o o 9 19 o o o 9 22 o o o 10 21 o o o 11 20 o o o 12 22 o o o 13 23 o o o 13 18 o o o 14 17 o o - 15 16 o o - 16 21 o o o 17 20 o o o 18 23 o o o 19 22 o o o 