data_[Sr6Pr3Cu27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2852]
_cell_length_b [5.2852]
_cell_length_c [25.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2PrCu9]
_chemical_formula_sum '[Sr6 Pr3 Cu27]'
_cell_volume [615.0074]
_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  6  0.0000  0.0000  0.1428  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  18  0.0062  0.5031  0.0784  1.0
  Cu  Cu3  6  0.0000  0.0000  0.3314  1.0
  Cu  Cu4  3  -0.0000  -0.0000  0.5000  1.0
]