data_[Pr3Sm3Cd51]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.0971]
_cell_length_b [10.0971]
_cell_length_c [14.9883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrSmCd17]
_chemical_formula_sum '[Pr3 Sm3 Cd51]'
_cell_volume [1323.3640]
_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  0.3323  1
  Sm  Sm1  3  0.0000  0.0000  0.6720  1
  Cd  Cd2  18  0.0329  0.3646  0.6671  1
  Cd  Cd3  9  0.1716  0.3432  0.4796  1
  Cd  Cd4  9  0.1772  0.3544  0.8377  1
  Cd  Cd5  9  0.1872  0.3744  0.1830  1
  Cd  Cd6  3  0.0000  0.0000  0.0957  1
  Cd  Cd7  3  0.0000  0.0000  0.8968  1
]