data_[Sr9La12O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.2273]
_cell_length_b [6.2273]
_cell_length_c [26.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sr3La4O9]
_chemical_formula_sum '[Sr9 La12 O27]'
_cell_volume [904.2730]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0039  1.0
  Sr  Sr1  3  0.0000  0.0000  0.1824  1.0
  Sr  Sr2  3  0.0000  0.0000  0.5743  1.0
  La  La3  3  0.0000  0.0000  0.3115  1.0
  La  La4  3  0.0000  0.0000  0.4399  1.0
  La  La5  3  0.0000  0.0000  0.7440  1.0
  La  La6  3  0.0000  0.0000  0.8754  1.0
  O  O7  9  0.0196  0.6415  0.0398  1.0
  O  O8  9  0.0516  0.7141  0.4870  1.0
  O  O9  9  0.0525  0.3384  0.9264  1.0
]