data_[Sr2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3259]
_cell_length_b [5.1494]
_cell_length_c [6.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCO3]
_chemical_formula_sum '[Sr2 C2 O6]'
_cell_volume [138.8277]
_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  2  0.1042  0.2500  0.7723  1.0
  C  C1  2  0.4972  0.7500  0.7536  1.0
  O  O2  4  0.3571  0.0314  0.1769  1.0
  O  O3  2  0.1961  0.7500  0.6273  1.0
]