data_[Pr8Sm4Mg8]
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 [Cmcm]
_cell_length_a [3.8811]
_cell_length_b [28.5490]
_cell_length_c [5.5755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr2SmMg2]
_chemical_formula_sum '[Pr8 Sm4 Mg8]'
_cell_volume [617.7725]
_cell_formula_units_Z [4]
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  4  0.0000  0.0442  0.2500  1
  Pr  Pr1  4  0.0000  0.2361  0.2500  1
  Sm  Sm2  4  0.0000  0.1495  0.7500  1
  Mg  Mg3  4  0.0000  0.3606  0.7500  1
  Mg  Mg4  4  0.0000  0.4458  0.2500  1
]