data_[La8Sm4Mn4Se20]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1568]
_cell_length_b [17.6179]
_cell_length_c [12.6923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2SmMnSe5]
_chemical_formula_sum '[La8 Sm4 Mn4 Se20]'
_cell_volume [929.5204]
_cell_formula_units_Z [4]
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  0.1198  0.3440  1
  La  La1  4  0.0000  0.1206  0.6936  1
  Sm  Sm2  4  0.0000  0.1829  0.0246  1
  Mn  Mn3  4  0.0000  0.4472  0.4263  1
  Se  Se4  4  0.0000  0.0158  0.0202  1
  Se  Se5  4  0.0000  0.3026  0.6876  1
  Se  Se6  4  0.0000  0.3111  0.3582  1
  Se  Se7  4  0.0000  0.3476  0.0174  1
  Se  Se8  4  0.0000  0.4948  0.7521  1
]