data_[Li3Ho12Tm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9687]
_cell_length_b [7.9687]
_cell_length_c [19.4430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiHo4TmS8]
_chemical_formula_sum '[Li3 Ho12 Tm3 S24]'
_cell_volume [1069.2284]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6250  1.0
  Ho  Ho1  9  0.0123  0.5062  0.5016  1.0
  Ho  Ho2  3  0.0000  0.0000  0.3754  1.0
  Tm  Tm3  3  0.0000  0.0000  0.9952  1.0
  S  S4  9  0.0242  0.5121  0.7521  1.0
  S  S5  9  0.1759  0.3519  0.5818  1.0
  S  S6  3  0.0000  0.0000  0.2416  1.0
  S  S7  3  0.0000  0.0000  0.7564  1.0
]