data_Sr2CaCu2(BiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.13
_cell_length_b   16.13
_cell_length_c   16.13
_cell_angle_alpha   166.64
_cell_angle_beta   166.64
_cell_angle_gamma   18.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCu2(BiO4)2
_chemical_formula_sum   'Sr2 Ca1 Cu2 Bi2 O8'
_cell_volume   223.77
_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  0.38  1.0
  Sr  Sr1  1  0.0  0.0  0.43  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.44  1.0
  Cu  Cu4  1  0.0  0.0  0.37  1.0
  Bi  Bi5  1  0.0  0.0  0.61  1.0
  Bi  Bi6  1  0.0  0.0  0.2  1.0
  O  O7  1  0.0  0.0  0.26  1.0
  O  O8  1  0.88  0.0  0.3  1.0
  O  O9  1  0.0  0.88  0.6  1.0
  O  O10  1  0.0  0.0  0.55  1.0
  O  O11  1  0.0  0.0  0.67  1.0
  O  O12  1  0.0  0.0  0.14  1.0
  O  O13  1  0.0  0.88  0.3  1.0
  O  O14  1  0.88  0.0  0.6  1.0

data_Sr2CaCu2(BiO4)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   16.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CaCu2(BiO4)2
_chemical_formula_sum   'Sr4 Ca2 Cu4 Bi4 O16'
_cell_volume   447.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.57  1.0
  Sr  Sr1  2  0.0  0.0  0.62  1.0
  Ca  Ca2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.56  1.0
  Cu  Cu4  2  0.0  0.0  0.63  1.0
  Bi  Bi5  2  0.0  0.0  0.39  1.0
  Bi  Bi6  2  0.0  0.0  0.8  1.0
  O  O7  4  0.44  0.44  0.27  1.0
  O  O8  4  0.44  0.44  0.57  1.0
  O  O9  2  0.0  0.0  0.33  1.0
  O  O10  2  0.0  0.0  0.45  1.0
  O  O11  2  0.0  0.0  0.74  1.0
  O  O12  2  0.0  0.0  0.86  1.0

Sr Sr Ca Cu Cu Bi Bi O O O O O O O O
Sr Sr Ca Cu Cu Bi Bi O O O O O O O O 0 4 o o o 1 3 o o o 1 8 - o o 1 13 o - o 2 12 o o o 3 8 - o o 3 13 o - o 5 10 o o o 5 11 o o o 6 12 o o o 6 7 o o o 9 14 - + o 9 11 o + o 11 14 - o o 