data_CrPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   7.39
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   127.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPbO4
_chemical_formula_sum   'Cr4 Pb4 O16'
_cell_volume   344.42
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.86  0.17  0.85  1.0
  Cr  Cr1  1  0.01  0.48  0.51  1.0
  Cr  Cr2  1  0.49  0.9  0.39  1.0
  Cr  Cr3  1  0.64  0.21  0.06  1.0
  Pb  Pb20  1  0.03  0.78  0.55  1.0
  Pb  Pb21  1  0.09  0.09  0.91  1.0
  Pb  Pb22  1  0.4  0.3  1.0  1.0
  Pb  Pb23  1  0.46  0.61  0.36  1.0
  O  O4  1  0.01  0.84  0.31  1.0
  O  O5  1  0.75  0.02  0.71  1.0
  O  O6  1  0.94  0.94  0.71  1.0
  O  O7  1  0.06  0.81  0.15  1.0
  O  O8  1  0.81  0.12  0.21  1.0
  O  O9  1  0.93  0.63  0.65  1.0
  O  O10  1  0.38  0.71  0.74  1.0
  O  O11  1  0.86  0.15  0.05  1.0
  O  O12  1  0.64  0.23  0.86  1.0
  O  O13  1  0.12  0.67  0.16  1.0
  O  O14  1  0.56  0.75  0.25  1.0
  O  O15  1  0.69  0.27  0.69  1.0
  O  O16  1  0.43  0.58  0.76  1.0
  O  O17  1  0.56  0.45  0.2  1.0
  O  O18  1  0.75  0.36  0.2  1.0
  O  O19  1  0.49  0.54  0.6  1.0

data_CrPbO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.75
_cell_length_b   7.07
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.22
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrPbO4
_chemical_formula_sum   'Cr4 Pb4 O16'
_cell_volume   344.42
_cell_formula_units_Z   4
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
  Cr  Cr0  2  0.22  0.61  0.02  1.0
  Cr  Cr1  2  0.3  0.06  0.29  1.0
  Pb  Pb2  2  0.31  0.09  0.59  1.0
  Pb  Pb3  2  0.39  0.55  0.11  1.0
  O  O4  2  0.01  0.4  0.04  1.0
  O  O5  2  0.09  0.86  0.65  1.0
  O  O6  2  0.12  0.31  0.38  1.0
  O  O7  2  0.16  0.29  0.52  1.0
  O  O8  2  0.2  0.76  0.92  1.0
  O  O9  2  0.24  0.74  0.17  1.0
  O  O10  2  0.43  0.75  0.25  1.0
  O  O11  2  0.49  0.8  0.56  1.0

Cr Cr Cr Cr Pb Pb Pb Pb O O O O O O O O O O O O O O O O
Cr Cr Cr Cr Pb Pb Pb Pb O O O O O O O O O O O O O O O O 0 9 o o o 0 19 o o o 0 16 o o o 0 5 + o o 0 15 o o + 1 22 - o o 1 13 - o o 1 20 o o o 1 4 o o o 2 11 o o o 2 7 o o o 2 18 o o o 2 9 o + o 3 6 o o - 3 15 o o o 3 12 o o o 3 22 o o o 3 16 o o - 4 13 - o o 4 8 o o o 4 10 - o o 4 14 o o o 5 10 - - o 6 21 o o + 7 17 o o o 7 21 o o o 7 23 o o o 7 18 o o o 8 11 o o o 9 10 o - o 11 17 o o o 12 15 o o o 14 20 o o o 15 16 o o - 16 19 o o o 20 23 o o o 21 22 o o o 