data_SrCa(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   6.47
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa(CO3)2
_chemical_formula_sum   'Sr2 Ca2 C4 O12'
_cell_volume   255.95
_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  0.66  0.72  0.89  1.0
  Sr  Sr1  1  0.66  0.75  0.61  1.0
  Ca  Ca2  1  0.0  0.1  0.1  1.0
  Ca  Ca3  1  0.0  0.37  0.38  1.0
  C  C4  1  0.0  0.24  0.57  1.0
  C  C5  1  0.0  0.23  0.29  1.0
  C  C6  1  0.66  0.8  0.52  1.0
  C  C7  1  0.66  0.67  0.24  1.0
  O  O8  1  0.54  0.19  0.21  1.0
  O  O9  1  0.19  0.6  0.37  1.0
  O  O10  1  0.54  0.28  0.93  1.0
  O  O11  1  0.78  0.19  0.21  1.0
  O  O12  1  0.66  0.91  0.15  1.0
  O  O13  1  0.12  0.6  0.37  1.0
  O  O14  1  0.12  0.87  0.1  1.0
  O  O15  1  0.0  0.98  0.03  1.0
  O  O16  1  0.78  0.28  0.93  1.0
  O  O17  1  0.66  0.56  0.87  1.0
  O  O18  1  0.0  0.49  0.75  1.0
  O  O19  1  0.19  0.87  0.1  1.0

data_SrCa(CO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   6.47
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa(CO3)2
_chemical_formula_sum   'Sr2 Ca2 C4 O12'
_cell_volume   255.95
_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  0.66  0.72  0.89  1.0
  Sr  Sr1  1  0.66  0.75  0.61  1.0
  Ca  Ca2  1  0.0  0.1  0.1  1.0
  Ca  Ca3  1  0.0  0.37  0.38  1.0
  C  C4  1  0.0  0.23  0.29  1.0
  C  C5  1  0.0  0.24  0.57  1.0
  C  C6  1  0.66  0.67  0.24  1.0
  C  C7  1  0.66  0.8  0.52  1.0
  O  O8  1  0.0  0.49  0.75  1.0
  O  O9  1  0.0  0.98  0.03  1.0
  O  O10  1  0.12  0.6  0.37  1.0
  O  O11  1  0.12  0.87  0.1  1.0
  O  O12  1  0.19  0.6  0.37  1.0
  O  O13  1  0.19  0.87  0.1  1.0
  O  O14  1  0.54  0.19  0.21  1.0
  O  O15  1  0.54  0.28  0.93  1.0
  O  O16  1  0.66  0.56  0.87  1.0
  O  O17  1  0.66  0.91  0.15  1.0
  O  O18  1  0.78  0.19  0.21  1.0
  O  O19  1  0.78  0.28  0.93  1.0

Sr Sr Ca Ca C C C C O O O O O O O O O O O O