data_[Sr3Pa9Cu12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.3166]
_cell_length_b [11.3166]
_cell_length_c [8.5512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [SrPa3(CuO3)4]
_chemical_formula_sum '[Sr3 Pa9 Cu12 O36]'
_cell_volume [948.3838]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Pa  Pa1  9  0.0000  0.5543  0.0000  1
  Cu  Cu2  9  0.0000  0.4315  0.5000  1
  Cu  Cu3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0464  0.2037  0.1955  1
  O  O5  9  0.0000  0.6037  0.5000  1
  O  O6  9  0.0000  0.8346  0.5000  1
]