data_[La15Sm4Mg1]
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 [P4/mmm]
_cell_length_a [5.2151]
_cell_length_b [5.2151]
_cell_length_c [26.1607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La15Sm4Mg]
_chemical_formula_sum '[La15 Sm4 Mg1]'
_cell_volume [711.4927]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.0979  1
  La  La1  4  0.0000  0.5000  0.2979  1
  La  La2  2  0.0000  0.5000  0.5000  1
  La  La3  2  0.5000  0.5000  0.1979  1
  La  La4  2  0.5000  0.5000  0.3988  1
  La  La5  1  0.5000  0.5000  0.0000  1
  Sm  Sm6  2  0.0000  0.0000  0.1968  1
  Sm  Sm7  2  0.0000  0.0000  0.3994  1
  Mg  Mg8  1  0.0000  0.0000  0.0000  1
]