data_[Sr6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6/m]
_cell_length_a [18.4504]
_cell_length_b [18.4504]
_cell_length_c [3.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [175]
_chemical_formula_structural [SrO]
_chemical_formula_sum '[Sr6 O6]'
_cell_volume [1015.3610]
_cell_formula_units_Z [6]
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  6  0.0115  0.1916  0.5000  1
  O  O1  6  0.0945  0.8865  0.0000  1
]