data_SrCaPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   3.49
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPbO4
_chemical_formula_sum   'Sr2 Ca2 Pb2 O8'
_cell_volume   213.34
_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
  Sr  Sr0  1  0.48  0.74  0.86  1.0
  Sr  Sr1  1  0.51  0.74  0.23  1.0
  Ca  Ca2  1  0.43  0.74  0.24  1.0
  Ca  Ca3  1  0.57  0.74  0.85  1.0
  Pb  Pb4  1  1.0  0.0  0.04  1.0
  Pb  Pb5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.31  0.0  0.04  1.0
  O  O7  1  0.68  0.0  0.05  1.0
  O  O8  1  0.1  0.0  0.09  1.0
  O  O9  1  0.89  0.0  1.0  1.0
  O  O10  1  0.43  0.74  0.54  1.0
  O  O11  1  0.56  0.74  0.55  1.0
  O  O12  1  0.4  0.74  0.49  1.0
  O  O13  1  0.6  0.74  0.6  1.0

data_SrCaPbO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.07
_cell_length_c   10.09
_cell_angle_alpha   90.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPbO4
_chemical_formula_sum   'Sr2 Ca2 Pb2 O8'
_cell_volume   213.34
_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
  Sr  Sr0  1  0.26  0.49  0.77  1.0
  Sr  Sr1  1  0.26  0.52  0.14  1.0
  Ca  Ca2  1  0.26  0.43  0.15  1.0
  Ca  Ca3  1  0.26  0.57  0.76  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.0  0.0  0.96  1.0
  O  O6  1  0.0  0.11  0.0  1.0
  O  O7  1  0.0  0.32  0.95  1.0
  O  O8  1  0.0  0.69  0.96  1.0
  O  O9  1  0.0  0.9  0.91  1.0
  O  O10  1  0.26  0.4  0.4  1.0
  O  O11  1  0.26  0.44  0.45  1.0
  O  O12  1  0.26  0.57  0.46  1.0
  O  O13  1  0.26  0.6  0.51  1.0

Sr Sr Ca Ca Pb Pb O O O O O O O O
Sr Sr Ca Ca Pb Pb O O O O O O O O 0 3 o o o 1 2 o o o 4 5 + o o 4 8 + o o 5 9 - o - 6 8 o o o 7 9 o o - 10 12 o o o 11 13 o o o 