data_[Sr4Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8418]
_cell_length_b [7.1840]
_cell_length_c [8.5059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrSeO3]
_chemical_formula_sum '[Sr4 Se4 O12]'
_cell_volume [336.2843]
_cell_formula_units_Z [4]
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  4  0.1552  0.6302  0.8789  1.0
  Se  Se1  4  0.3466  0.1601  0.0910  1.0
  O  O2  4  0.0934  0.1933  0.4833  1.0
  O  O3  4  0.2145  0.5234  0.4304  1.0
  O  O4  4  0.3949  0.0819  0.3033  1.0
]