[CIF]
data_BaBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26837438
_cell_length_b   5.26837438
_cell_length_c   6.47795643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBP
_chemical_formula_sum   'Ba2 B2 P2'
_cell_volume   155.71193894
_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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  B  B1  1  0.00000000  0.00000000  3.23897821  1
  Ba  Ba2  1  2.63418719  1.52084868  1.61948911  1
  Ba  Ba3  1  0.00000000  3.04169737  4.85846732  1
  P  P4  1  2.63418719  1.52084868  4.85846732  1
  P  P5  1  0.00000000  3.04169737  1.61948911  1
[/CIF]
