data_[Ba4Sr4Cu4O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4195]
_cell_length_b [4.0649]
_cell_length_c [7.4304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrCuO3]
_chemical_formula_sum '[Ba4 Sr4 Cu4 O12]'
_cell_volume [389.7555]
_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  0.1452  0.5000  0.0755  1.0
  Sr  Sr1  4  0.1462  0.5000  0.5703  1.0
  Cu  Cu2  4  0.0009  0.0000  0.2685  1.0
  O  O3  4  0.0002  0.5000  0.2685  1.0
  O  O4  4  0.1499  0.0000  0.8099  1.0
  O  O5  4  0.1528  0.0000  0.3398  1.0
]