data_DyPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   106.07
_cell_angle_beta   106.07
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyPO4
_chemical_formula_sum   'Dy2 P2 O8'
_cell_volume   142.33
_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
  Dy  Dy0  1  0.0  0.0  0.01  1.0
  Dy  Dy1  1  0.44  0.0  0.5  1.0
  P  P10  1  0.0  0.0  0.0  1.0
  P  P11  1  0.0  0.44  0.5  1.0
  O  O2  1  0.21  0.0  0.97  1.0
  O  O3  1  0.67  0.0  0.97  1.0
  O  O4  1  0.44  0.21  0.46  1.0
  O  O5  1  0.44  0.77  0.04  1.0
  O  O6  1  0.0  0.23  0.47  1.0
  O  O7  1  0.44  0.23  0.04  1.0
  O  O8  1  0.23  0.0  0.55  1.0
  O  O9  1  0.21  0.44  0.54  1.0

data_DyPO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   106.07
_cell_angle_beta   106.07
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyPO4
_chemical_formula_sum   'Dy2 P2 O8'
_cell_volume   142.33
_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
  Dy  Dy0  1  0.0  0.0  0.01  1.0
  Dy  Dy1  1  0.44  0.0  0.5  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.44  0.5  1.0
  O  O4  1  0.0  0.23  0.47  1.0
  O  O5  1  0.21  0.0  0.97  1.0
  O  O6  1  0.21  0.44  0.54  1.0
  O  O7  1  0.23  0.0  0.55  1.0
  O  O8  1  0.44  0.21  0.46  1.0
  O  O9  1  0.44  0.23  0.04  1.0
  O  O10  1  0.44  0.77  0.04  1.0
  O  O11  1  0.67  0.0  0.97  1.0

Dy Dy P P O O O O O O O O
Dy Dy P P O O O O O O O O 0 2 o o o 0 4 o o - 0 5 - o - 1 6 o o o 1 10 o o o 2 4 o o - 2 5 - o - 3 8 o o o 3 11 o o o 4 9 o o + 5 7 o - + 8 11 o o o 