data_[Pr3Sm9Mg24]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1024]
_cell_length_b [6.1024]
_cell_length_c [29.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrSm3Mg8]
_chemical_formula_sum '[Pr3 Sm9 Mg24]'
_cell_volume [967.1962]
_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  0.8751  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0002  1.0
  Sm  Sm2  3  0.0000  0.0000  0.3751  1.0
  Sm  Sm3  3  0.0000  0.0000  0.4996  1.0
  Mg  Mg4  9  0.0007  0.5003  0.9379  1.0
  Mg  Mg5  9  0.1670  0.3339  0.7704  1.0
  Mg  Mg6  3  0.0000  0.0000  0.1875  1.0
  Mg  Mg7  3  0.0000  0.0000  0.6874  1.0
]