data_[La4Pr6Sm2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4143]
_cell_length_b [12.8165]
_cell_length_c [7.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr3SmSe6]
_chemical_formula_sum '[La4 Pr6 Sm2 Se12]'
_cell_volume [657.5331]
_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  0.0000  0.3341  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1687  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2462  0.1640  0.2472  1.0
  Se  Se5  4  0.2443  0.0000  0.7497  1.0
]