data_[Sr16La4Mn20O52]
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 [C2/m]
_cell_length_a [17.7193]
_cell_length_b [7.6874]
_cell_length_c [12.5718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr4LaMn5O13]
_chemical_formula_sum '[Sr16 La4 Mn20 O52]'
_cell_volume [1218.1425]
_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  8  0.1091  0.2496  0.3204  1
  Sr  Sr1  8  0.2071  0.2512  0.1155  1
  La  La2  4  0.0000  0.2502  0.5000  1
  Mn  Mn3  4  0.0984  0.0000  0.8055  1
  Mn  Mn4  4  0.0997  0.5000  0.8049  1
  Mn  Mn5  4  0.2028  0.5000  0.6061  1
  Mn  Mn6  4  0.2032  0.0000  0.6047  1
  Mn  Mn7  2  0.0000  0.0000  0.0000  1
  Mn  Mn8  2  0.0000  0.5000  0.0000  1
  O  O9  8  0.1264  0.2501  0.8413  1
  O  O10  8  0.1958  0.2473  0.6013  1
  O  O11  4  0.0461  0.5000  0.4140  1
  O  O12  4  0.0501  0.0000  0.4137  1
  O  O13  4  0.0573  0.0000  0.9152  1
  O  O14  4  0.0591  0.5000  0.9171  1
  O  O15  4  0.1390  0.5000  0.1954  1
  O  O16  4  0.1406  0.0000  0.1955  1
  O  O17  4  0.1555  0.0000  0.7224  1
  O  O18  4  0.1593  0.5000  0.7192  1
  O  O19  4  0.2460  0.5000  0.5028  1
]