data_[Li3Y3Ho12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9722]
_cell_length_b [7.9722]
_cell_length_c [19.5848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiY(HoS2)4]
_chemical_formula_sum '[Li3 Y3 Ho12 S24]'
_cell_volume [1077.9800]
_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  0.6252  1.0
  Y  Y1  3  0.0000  0.0000  0.9954  1.0
  Ho  Ho2  9  0.0124  0.5062  0.5016  1.0
  Ho  Ho3  3  0.0000  0.0000  0.3747  1.0
  S  S4  9  0.0216  0.5108  0.7533  1.0
  S  S5  9  0.1750  0.3500  0.5806  1.0
  S  S6  3  0.0000  0.0000  0.2415  1.0
  S  S7  3  0.0000  0.0000  0.7568  1.0
]