data_[Pr12Sm8Mg4]
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 [C2/m]
_cell_length_a [21.2327]
_cell_length_b [3.7508]
_cell_length_c [11.7560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm2Mg]
_chemical_formula_sum '[Pr12 Sm8 Mg4]'
_cell_volume [803.8700]
_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  0.0724  0.0000  0.4216  1.0
  Pr  Pr1  4  0.1041  0.5000  0.7200  1.0
  Pr  Pr2  4  0.2447  0.5000  0.6238  1.0
  Sm  Sm3  4  0.0574  0.0000  0.9329  1.0
  Sm  Sm4  4  0.2223  0.5000  0.0915  1.0
  Mg  Mg5  4  0.0990  0.5000  0.2043  1.0
]