data_[La2Sm1Th1Se4]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3641]
_cell_length_b [4.2346]
_cell_length_c [7.3742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2SmThSe4]
_chemical_formula_sum '[La2 Sm1 Th1 Se4]'
_cell_volume [216.9609]
_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  0.5000  0.0000  0.5000  1
  La  La1  1  0.5000  0.5000  0.0000  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2409  0.5000  0.2452  1
  Se  Se5  2  0.2427  0.0000  0.7501  1
]