data_[Li6Sm4Ho2Se12]
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 [7.1326]
_cell_length_b [12.3545]
_cell_length_c [6.9279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Sm2HoSe6]
_chemical_formula_sum '[Li6 Sm4 Ho2 Se12]'
_cell_volume [573.4736]
_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  4  0.0000  0.1650  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3332  0.0000  1.0
  Ho  Ho3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2489  0.8364  0.2559  1.0
  Se  Se5  4  0.2424  0.0000  0.7453  1.0
]