data_[La4Sm12Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.3888]
_cell_length_b [14.5849]
_cell_length_c [5.2838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaSm3Zn]
_chemical_formula_sum '[La4 Sm12 Zn4]'
_cell_volume [646.4817]
_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
[
  La  La0  4  0.0000  0.4103  0.2500  1
  Sm  Sm1  8  0.2054  0.8417  0.7500  1
  Sm  Sm2  4  0.0000  0.0556  0.7500  1
  Zn  Zn3  4  0.0000  0.2478  0.7500  1
]