data_[La16Sm2Zn4]
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 [C2/m]
_cell_length_a [17.1244]
_cell_length_b [5.4542]
_cell_length_c [8.5488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8SmZn2]
_chemical_formula_sum '[La16 Sm2 Zn4]'
_cell_volume [725.6989]
_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  0.0539  0.0000  0.7387  1
  La  La1  4  0.1120  0.5000  0.4758  1
  La  La2  4  0.1539  0.0000  0.2192  1
  La  La3  4  0.1906  0.5000  0.9669  1
  Sm  Sm4  2  0.0000  0.5000  0.0000  1
  Zn  Zn5  4  0.2197  0.0000  0.6316  1
]