data_[Li2Sm6Ho4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0218]
_cell_length_b [12.2773]
_cell_length_c [7.1678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm3(HoSe3)2]
_chemical_formula_sum '[Li2 Sm6 Ho4 Se12]'
_cell_volume [582.5207]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1671  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.0000  0.3335  0.0000  1.0
  Se  Se4  8  0.2411  0.1629  0.2363  1.0
  Se  Se5  4  0.2455  0.0000  0.7665  1.0
]