data_Ba(BP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BP2)2
_chemical_formula_sum   'Ba2 B4 P8'
_cell_volume   294.68
_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  Ba4  1  0.0  0.0  0.92  1.0
  Ba  Ba5  1  0.0  0.0  0.31  1.0
  B  B0  1  0.04  0.75  0.59  1.0
  B  B1  1  0.0  0.51  0.2  1.0
  B  B2  1  0.0  0.51  0.64  1.0
  B  B3  1  0.04  0.75  0.03  1.0
  P  P6  1  0.04  0.75  0.92  1.0
  P  P7  1  0.0  0.51  0.31  1.0
  P  P8  1  0.88  0.95  0.61  1.0
  P  P9  1  0.91  0.31  0.61  1.0
  P  P10  1  0.25  0.0  0.61  1.0
  P  P11  1  0.09  0.31  0.0  1.0
  P  P12  1  0.12  0.95  0.0  1.0
  P  P13  1  0.82  0.0  0.0  1.0

data_Ba(BP2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BP2)2
_chemical_formula_sum   'Ba2 B4 P8'
_cell_volume   294.68
_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  0.0  0.0  0.31  1.0
  Ba  Ba1  1  0.0  0.0  0.92  1.0
  B  B2  1  0.0  0.51  0.2  1.0
  B  B3  1  0.0  0.51  0.64  1.0
  B  B4  1  0.04  0.75  0.03  1.0
  B  B5  1  0.04  0.75  0.59  1.0
  P  P6  1  0.0  0.51  0.31  1.0
  P  P7  1  0.04  0.75  0.92  1.0
  P  P8  1  0.09  0.31  0.0  1.0
  P  P9  1  0.12  0.95  0.0  1.0
  P  P10  1  0.25  0.0  0.61  1.0
  P  P11  1  0.82  0.0  0.0  1.0
  P  P12  1  0.88  0.95  0.61  1.0
  P  P13  1  0.91  0.31  0.61  1.0

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