data_[Li2Sm4Ho6S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7576]
_cell_length_b [11.7653]
_cell_length_c [6.7879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm2(HoS2)3]
_chemical_formula_sum '[Li2 Sm4 Ho6 S12]'
_cell_volume [509.0339]
_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  0.3335  0.0000  1.0
  Ho  Ho2  4  0.0000  0.1669  0.5000  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2463  0.8384  0.2551  1.0
  S  S5  4  0.2368  0.0000  0.7487  1.0
]