data_[Sr3Mn2Al1O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4488]
_cell_length_b [5.4488]
_cell_length_c [6.6827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Mn2AlO9]
_chemical_formula_sum '[Sr3 Mn2 Al1 O9]'
_cell_volume [171.8249]
_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  2  0.3333  0.6667  0.3313  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.3333  0.6667  0.8269  1.0
  Al  Al3  1  0.0000  0.0000  0.5000  1.0
  O  O4  6  0.1663  0.3326  0.6663  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]