data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   84.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPO4
_chemical_formula_sum   'Bi2 P2 O8'
_cell_volume   165.5
_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
  Bi  Bi0  1  0.53  0.36  0.82  1.0
  Bi  Bi1  1  0.53  0.64  0.45  1.0
  P  P2  1  0.53  0.97  0.82  1.0
  P  P3  1  0.53  0.03  0.45  1.0
  O  O4  1  0.53  0.98  0.6  1.0
  O  O5  1  0.76  0.1  0.45  1.0
  O  O6  1  0.53  0.02  0.24  1.0
  O  O7  1  0.53  0.02  0.67  1.0
  O  O8  1  0.53  0.98  0.03  1.0
  O  O9  1  0.31  0.9  0.82  1.0
  O  O10  1  0.76  0.9  0.82  1.0
  O  O11  1  0.31  0.1  0.45  1.0

data_BiPO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.23
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiPO4
_chemical_formula_sum   'Bi2 P2 O8'
_cell_volume   165.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Bi  Bi0  2  0.5  0.36  0.18  1.0
  P  P1  2  0.5  0.03  0.82  1.0
  O  O2  2  0.28  0.1  0.82  1.0
  O  O3  2  0.28  0.9  0.18  1.0
  O  O4  2  0.5  0.02  0.03  1.0
  O  O5  2  0.5  0.02  0.6  1.0

Bi Bi P P O O O O O O O O