data_[Sr4Os4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0600]
_cell_length_b [5.8099]
_cell_length_c [4.2867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrOsO3]
_chemical_formula_sum '[Sr4 Os4 O12]'
_cell_volume [316.6056]
_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  0.1637  0.5000  0.7049  1.0
  Os  Os1  4  0.0632  0.0000  0.2258  1.0
  O  O2  8  0.1606  0.2324  0.1927  1.0
  O  O3  4  0.0000  0.2154  0.5000  1.0
]