data_Sr2CrCuSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrCuSO3
_chemical_formula_sum   'Sr4 Cr2 Cu2 S2 O6'
_cell_volume   235.78
_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  Sr12  1  0.96  0.0  0.81  1.0
  Sr  Sr13  1  0.96  0.0  0.32  1.0
  Sr  Sr14  1  0.0  0.96  0.02  1.0
  Sr  Sr15  1  0.0  0.96  0.53  1.0
  Cr  Cr0  1  0.0  0.96  0.69  1.0
  Cr  Cr1  1  0.96  0.0  0.65  1.0
  Cu  Cu2  1  0.96  0.96  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  S  S10  1  0.0  0.96  0.39  1.0
  S  S11  1  0.96  0.0  0.95  1.0
  O  O4  1  0.96  0.96  0.4  1.0
  O  O5  1  0.0  0.0  0.4  1.0
  O  O6  1  0.0  0.96  0.6  1.0
  O  O7  1  0.96  0.0  0.74  1.0
  O  O8  1  0.96  0.96  0.94  1.0
  O  O9  1  0.0  0.0  0.94  1.0

data_Sr2CrCuSO3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CrCuSO3
_chemical_formula_sum   'Sr8 Cr4 Cu4 S4 O12'
_cell_volume   471.56
_cell_formula_units_Z   4
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  0.02  1.0
  Sr  Sr1  2  0.0  0.0  0.53  1.0
  Sr  Sr2  2  0.46  0.5  0.32  1.0
  Sr  Sr3  2  0.46  0.5  0.81  1.0
  Cr  Cr4  2  0.0  0.0  0.69  1.0
  Cr  Cr5  2  0.46  0.5  0.65  1.0
  Cu  Cu6  4  0.48  0.48  0.0  1.0
  S  S7  2  0.0  0.0  0.39  1.0
  S  S8  2  0.46  0.5  0.95  1.0
  O  O9  4  0.48  0.48  0.4  1.0
  O  O10  4  0.48  0.48  0.94  1.0
  O  O11  2  0.0  0.0  0.6  1.0
  O  O12  2  0.46  0.5  0.74  1.0

Sr Sr Sr Sr Cr Cr Cu Cu S S O O O O O O
Sr Sr Sr Sr Cr Cr Cu Cu S S O O O O O O 0 13 o o o 1 8 + - o 1 10 o - o 1 11 + o o 2 6 - o o 2 7 o + o 3 12 o o o 4 5 - + o 4 13 - + o 5 12 + - o 6 7 + + o 8 10 - o o 8 11 o + o 9 14 o - o 9 15 + o o 10 11 + + o 14 15 + + o 