data_[La6Sm8Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.6540]
_cell_length_b [7.3384]
_cell_length_c [6.3400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Sm4Mg]
_chemical_formula_sum '[La6 Sm8 Mg2]'
_cell_volume [542.2047]
_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
[
  La  La0  4  0.2423  0.1208  0.8508  1.0
  La  La1  2  0.0000  0.1311  0.5030  1.0
  Sm  Sm2  4  0.2427  0.6268  0.8566  1.0
  Sm  Sm3  2  0.0000  0.3904  0.0347  1.0
  Sm  Sm4  2  0.0000  0.6277  0.5167  1.0
  Mg  Mg5  2  0.0000  0.8722  0.0156  1.0
]