data_Sr5CaCu4(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.66
_cell_length_c   14.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5CaCu4(BiO2)4
_chemical_formula_sum   'Sr5 Ca1 Cu4 Bi4 O8'
_cell_volume   463.62
_cell_formula_units_Z   1
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  0.0  0.0  0.2  1.0
  Sr  Sr1  1  0.96  0.0  0.19  1.0
  Sr  Sr2  1  0.09  0.83  0.2  1.0
  Sr  Sr3  1  0.86  0.83  0.19  1.0
  Sr  Sr4  1  0.84  0.83  0.0  1.0
  Ca  Ca5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.01  0.83  0.66  1.0
  Cu  Cu7  1  0.95  0.83  0.74  1.0
  Cu  Cu8  1  0.12  0.0  0.74  1.0
  Cu  Cu9  1  0.84  0.0  0.66  1.0
  Bi  Bi10  1  0.56  0.83  0.92  1.0
  Bi  Bi11  1  0.4  0.83  0.48  1.0
  Bi  Bi12  1  0.58  0.0  0.47  1.0
  Bi  Bi13  1  0.37  0.0  0.93  1.0
  O  O14  1  0.41  0.4  0.74  1.0
  O  O15  1  0.55  0.4  0.65  1.0
  O  O16  1  0.55  0.26  0.65  1.0
  O  O17  1  0.41  0.26  0.74  1.0
  O  O18  1  0.29  0.27  0.67  1.0
  O  O19  1  0.67  0.27  0.73  1.0
  O  O20  1  0.67  0.39  0.73  1.0
  O  O21  1  0.29  0.39  0.67  1.0

data_Sr5CaCu4(BiO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.66
_cell_length_b   5.69
_cell_length_c   14.65
_cell_angle_alpha   100.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5CaCu4(BiO2)4
_chemical_formula_sum   'Sr5 Ca1 Cu4 Bi4 O8'
_cell_volume   463.62
_cell_formula_units_Z   1
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  0.0  0.04  0.81  1.0
  Sr  Sr1  1  0.0  1.0  0.8  1.0
  Sr  Sr2  1  0.17  0.14  0.81  1.0
  Sr  Sr3  1  0.17  0.16  0.0  1.0
  Sr  Sr4  1  0.17  0.91  0.8  1.0
  Ca  Ca5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.0  0.16  0.34  1.0
  Cu  Cu7  1  0.0  0.88  0.26  1.0
  Cu  Cu8  1  0.17  0.05  0.26  1.0
  Cu  Cu9  1  0.17  0.99  0.34  1.0
  Bi  Bi10  1  0.0  0.42  0.53  1.0
  Bi  Bi11  1  0.0  0.63  0.07  1.0
  Bi  Bi12  1  0.17  0.44  0.08  1.0
  Bi  Bi13  1  0.17  0.6  0.52  1.0
  O  O14  1  0.6  0.45  0.35  1.0
  O  O15  1  0.6  0.59  0.26  1.0
  O  O16  1  0.61  0.33  0.27  1.0
  O  O17  1  0.61  0.71  0.33  1.0
  O  O18  1  0.73  0.33  0.27  1.0
  O  O19  1  0.73  0.71  0.33  1.0
  O  O20  1  0.74  0.45  0.35  1.0
  O  O21  1  0.74  0.59  0.26  1.0

Sr Sr Sr Sr Sr Ca Cu Cu Cu Cu Bi Bi Bi Bi O O O O O O O O