[CIF]
data_BaB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08323112
_cell_length_b   3.08323112
_cell_length_c   7.19820861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.93488932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2P
_chemical_formula_sum   'Ba1 B2 P1'
_cell_volume   66.69206553
_cell_formula_units_Z   1
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  1.92072723  0.00000000  0.01149827  1
  B  B1  1  0.00000000  0.00000000  5.30406120  1
  Ba  Ba2  1  1.92072723  0.00000000  3.48332565  1
  P  P3  1  0.00000000  0.00000000  1.99842779  1
[/CIF]
