# generated using pymatgen
data_BPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34384440
_cell_length_b   4.34384429
_cell_length_c   4.52792200
_cell_angle_alpha   118.66405494
_cell_angle_beta   118.66405437
_cell_angle_gamma   89.99999627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPO4
_chemical_formula_sum   'B1 P1 O4'
_cell_volume   62.77329479
_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  0.25000000  0.75000000  0.50000000  1.0
  P  P1  1  -0.00000000  -0.00000000  0.00000000  1.0
  O  O2  1  0.13145154  0.73465559  0.74663141  1.0
  O  O3  1  0.26534441  0.38481812  0.25336859  1.0
  O  O4  1  0.61518188  0.01197683  0.74663141  1.0
  O  O5  1  0.98802317  0.86854846  0.25336859  1.0