data_YbPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   106.13
_cell_angle_beta   106.13
_cell_angle_gamma   116.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPO4
_chemical_formula_sum   'Yb2 P2 O8'
_cell_volume   150.83
_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
  Yb  Yb0  1  0.5  0.0  0.54  1.0
  Yb  Yb1  1  0.0  0.0  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.5  0.54  1.0
  O  O4  1  0.23  0.0  0.94  1.0
  O  O5  1  0.0  0.27  0.48  1.0
  O  O6  1  0.5  0.23  0.4  1.0
  O  O7  1  0.78  0.0  0.94  1.0
  O  O8  1  0.5  0.73  0.13  1.0
  O  O9  1  0.27  0.0  0.67  1.0
  O  O10  1  0.23  0.5  0.6  1.0
  O  O11  1  0.5  0.27  0.13  1.0

data_YbPO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   106.13
_cell_angle_beta   106.13
_cell_angle_gamma   116.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPO4
_chemical_formula_sum   'Yb2 P2 O8'
_cell_volume   150.83
_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
  Yb  Yb0  1  0.03  0.54  0.54  1.0
  Yb  Yb1  1  0.07  0.07  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.54  0.03  0.54  1.0
  O  O4  1  0.16  0.94  0.94  1.0
  O  O5  1  0.37  0.09  0.6  1.0
  O  O6  1  0.4  0.67  0.67  1.0
  O  O7  1  0.48  0.2  0.48  1.0
  O  O8  1  0.63  0.41  0.13  1.0
  O  O9  1  0.63  0.86  0.13  1.0
  O  O10  1  0.71  0.94  0.94  1.0
  O  O11  1  0.9  0.17  0.4  1.0

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