data_[La4Pr3Sm2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6934]
_cell_length_b [3.6934]
_cell_length_c [27.7664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La4Pr3Sm2]
_chemical_formula_sum '[La4 Pr3 Sm2]'
_cell_volume [328.0288]
_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  1  0.0000  0.0000  0.5670  1.0
  La  La1  1  0.0000  0.0000  0.7881  1.0
  La  La2  1  0.3333  0.6667  0.2330  1.0
  La  La3  1  0.3333  0.6667  0.4560  1.0
  Pr  Pr4  1  0.0000  0.0000  0.3453  1.0
  Pr  Pr5  1  0.3333  0.6667  0.0155  1.0
  Pr  Pr6  1  0.3333  0.6667  0.6802  1.0
  Sm  Sm7  1  0.0000  0.0000  0.1259  1.0
  Sm  Sm8  1  0.0000  0.0000  0.9118  1.0
]