data_[Li3Y12Ho3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3703]
_cell_length_b [8.3703]
_cell_length_c [20.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiY4HoSe8]
_chemical_formula_sum '[Li3 Y12 Ho3 Se24]'
_cell_volume [1241.0366]
_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  0.6249  1
  Y  Y1  9  0.0139  0.5069  0.5017  1
  Y  Y2  3  0.0000  0.0000  0.3753  1
  Ho  Ho3  3  0.0000  0.0000  0.9946  1
  Se  Se4  9  0.0240  0.5120  0.7524  1
  Se  Se5  9  0.1739  0.3478  0.5821  1
  Se  Se6  3  0.0000  0.0000  0.2415  1
  Se  Se7  3  0.0000  0.0000  0.7550  1
]