data_[Pr3Sm6Cu27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2391]
_cell_length_b [5.2391]
_cell_length_c [25.0062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrSm2Cu9]
_chemical_formula_sum '[Pr3 Sm6 Cu27]'
_cell_volume [594.4274]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  6  0.0000  0.0000  0.1440  1.0
  Cu  Cu2  18  0.0040  0.5020  0.0816  1.0
  Cu  Cu3  6  0.0000  0.0000  0.3316  1.0
  Cu  Cu4  3  -0.0000  -0.0000  0.5000  1.0
]