data_SbPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   6.79
_cell_length_c   23.21
_cell_angle_alpha   90.0
_cell_angle_beta   95.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPO4
_chemical_formula_sum   'Sb2 P2 O8'
_cell_volume   750.22
_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
  Sb  Sb0  1  0.67  0.25  0.86  1.0
  Sb  Sb1  1  0.19  0.75  1.0  1.0
  P  P2  1  0.63  0.75  0.9  1.0
  P  P3  1  0.23  0.25  0.96  1.0
  O  O4  1  0.69  0.57  0.87  1.0
  O  O5  1  0.69  0.93  0.87  1.0
  O  O6  1  0.08  0.25  0.89  1.0
  O  O7  1  0.55  0.25  0.94  1.0
  O  O8  1  0.78  0.75  0.97  1.0
  O  O9  1  0.31  0.75  0.92  1.0
  O  O10  1  0.17  0.07  0.99  1.0
  O  O11  1  0.17  0.43  0.99  1.0

Sb Sb P P O O O O O O O O 0 7 o o o 0 5 o - o 0 6 + o o 0 4 o o o 1 11 o o o 1 10 o + o 1 8 - o o 1 9 o o o 2 9 o o o 2 4 o o o 2 5 o o o 2 8 o o o 3 10 o o o 3 6 o o o 3 11 o o o 3 7 o o o 
data_SbPO4
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   4.78
_cell_length_b   6.79
_cell_length_c   23.21
_cell_angle_alpha   90.0
_cell_angle_beta   95.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   SbPO4
_chemical_formula_sum   'Sb2 P2 O8'
_cell_volume   750.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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
  Sb  Sb0  2  0.24  0.25  0.43  1.0
  P  P1  2  0.2  0.75  0.47  1.0
  O  O2  4  0.26  0.57  0.44  1.0
  O  O3  2  0.12  0.25  0.51  1.0
  O  O4  2  0.35  0.75  0.54  1.0
