data_[Pr6Sm8Mg2]
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 [Pmn2_1]
_cell_length_a [11.6291]
_cell_length_b [7.3021]
_cell_length_c [6.3220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Sm4Mg]
_chemical_formula_sum '[Pr6 Sm8 Mg2]'
_cell_volume [536.8469]
_cell_formula_units_Z [2]
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  0.2417  0.1222  0.8502  1.0
  Pr  Pr1  2  0.0000  0.1302  0.5013  1.0
  Sm  Sm2  4  0.2417  0.6274  0.8573  1.0
  Sm  Sm3  2  0.0000  0.3904  0.0357  1.0
  Sm  Sm4  2  0.0000  0.6253  0.5155  1.0
  Mg  Mg5  2  0.0000  0.8751  0.0171  1.0
]