data_[Ba4Pr1Sm1Cu6O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8829]
_cell_length_b [3.9470]
_cell_length_c [23.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ba4PrSm(Cu3O7)2]
_chemical_formula_sum '[Ba4 Pr1 Sm1 Cu6 O14]'
_cell_volume [364.8720]
_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
[
  Ba  Ba0  2  0.5000  0.5000  0.1597  1
  Ba  Ba1  2  0.5000  0.5000  0.3386  1
  Pr  Pr2  1  0.5000  0.5000  0.5000  1
  Sm  Sm3  1  0.5000  0.5000  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.0752  1
  Cu  Cu5  2  0.0000  0.0000  0.2491  1
  Cu  Cu6  2  0.0000  0.0000  0.4224  1
  O  O7  2  0.0000  0.0000  0.1704  1
  O  O8  2  0.0000  0.0000  0.3279  1
  O  O9  2  0.0000  0.5000  0.0626  1
  O  O10  2  0.0000  0.5000  0.2490  1
  O  O11  2  0.0000  0.5000  0.4347  1
  O  O12  2  0.5000  0.0000  0.0621  1
  O  O13  2  0.5000  0.0000  0.4352  1
]