data_[Sr1La2Mn3O9]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5475]
_cell_length_b [5.5475]
_cell_length_c [6.7719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrLa2Mn3O9]
_chemical_formula_sum '[Sr1 La2 Mn3 O9]'
_cell_volume [180.4825]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.9997  1.0
  La  La1  1  0.0000  0.0000  0.6690  1.0
  La  La2  1  0.6667  0.3333  0.3340  1.0
  Mn  Mn3  1  0.0000  0.0000  0.1661  1.0
  Mn  Mn4  1  0.3333  0.6667  0.5014  1.0
  Mn  Mn5  1  0.6667  0.3333  0.8349  1.0
  O  O6  3  0.1649  0.3298  0.3420  1.0
  O  O7  3  0.3432  0.1716  0.9929  1.0
  O  O8  3  0.5070  0.0141  0.6634  1.0
]