[CIF]
data_BaBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04633288
_cell_length_b   4.04633288
_cell_length_c   9.17578774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBP
_chemical_formula_sum   'Ba2 B2 P2'
_cell_volume   150.23342721
_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  2.02316644  0.00000000  0.57015409  1
  B  B1  1  0.00000000  2.02316644  8.60563365  1
  Ba  Ba2  1  2.02316644  0.00000000  6.71303944  1
  Ba  Ba3  1  0.00000000  2.02316644  2.46274830  1
  P  P4  1  0.00000000  0.00000000  0.00000000  1
  P  P5  1  2.02316644  2.02316644  0.00000000  1
[/CIF]
