data_[Li2Pr1Sm1Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7734]
_cell_length_b [4.7734]
_cell_length_c [7.6575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2PrSmSn2]
_chemical_formula_sum '[Li2 Pr1 Sm1 Sn2]'
_cell_volume [151.1055]
_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
[
  Li  Li0  2  0.3333  0.6667  0.7289  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  Sn  Sn3  2  0.3333  0.6667  0.2570  1
]