data_[Ba4Sr4Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  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 [13.7246]
_cell_length_b [4.0856]
_cell_length_c [7.5093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrMnO3]
_chemical_formula_sum '[Ba4 Sr4 Mn4 O12]'
_cell_volume [405.2794]
_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
[
  Ba  Ba0  4  0.1463  0.5000  0.0750  1.0
  Sr  Sr1  4  0.1500  0.5000  0.5721  1.0
  Mn  Mn2  4  0.0009  0.0000  0.2597  1.0
  O  O3  4  0.0008  0.5000  0.2726  1.0
  O  O4  4  0.1518  0.0000  0.8067  1.0
  O  O5  4  0.1549  0.0000  0.3433  1.0
]