data_Yb2PrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2PrO4
_chemical_formula_sum   'Yb4 Pr2 O8'
_cell_volume   222.12
_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  Yb10  1  0.61  0.61  0.01  1.0
  Yb  Yb11  1  0.01  0.61  0.61  1.0
  Yb  Yb12  1  0.01  0.01  0.01  1.0
  Yb  Yb13  1  0.61  0.01  0.61  1.0
  Pr  Pr8  1  0.0  0.0  0.0  1.0
  Pr  Pr9  1  0.4  0.4  0.4  1.0
  O  O0  1  0.7  0.91  0.91  1.0
  O  O1  1  0.7  0.7  0.7  1.0
  O  O2  1  0.91  0.7  0.91  1.0
  O  O3  1  0.11  0.11  0.31  1.0
  O  O4  1  0.91  0.91  0.7  1.0
  O  O5  1  0.11  0.31  0.11  1.0
  O  O6  1  0.31  0.31  0.31  1.0
  O  O7  1  0.31  0.11  0.11  1.0

data_Yb2PrO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   16.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Yb2PrO4
_chemical_formula_sum   'Yb12 Pr6 O24'
_cell_volume   666.37
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.06  0.53  0.93  1.0
  Yb  Yb1  3  0.0  0.0  0.99  1.0
  Pr  Pr2  3  0.0  0.0  0.0  1.0
  Pr  Pr3  3  0.0  0.0  0.6  1.0
  O  O4  9  0.07  0.14  0.82  1.0
  O  O5  9  0.14  0.07  0.16  1.0
  O  O6  3  0.0  0.0  0.3  1.0
  O  O7  3  0.0  0.0  0.69  1.0

Yb Yb Yb Yb Pr Pr O O O O O O O O
Yb Yb Yb Yb Pr Pr O O O O O O O O 0 7 o o - 1 7 - o o 2 4 o o o 3 7 o - o 5 12 o o o 6 8 o o o 6 10 o o o 8 10 o o o 9 13 o o o 9 11 o o o 11 13 o o o 