data_[Li3Ho3In12Se24]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1570]
_cell_length_b [8.1570]
_cell_length_c [20.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiHo(InSe2)4]
_chemical_formula_sum '[Li3 Ho3 In12 Se24]'
_cell_volume [1153.1692]
_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  0.6256  1.0
  Ho  Ho1  3  0.0000  0.0000  0.9903  1.0
  In  In2  9  0.0183  0.5092  0.5033  1.0
  In  In3  3  0.0000  0.0000  0.3770  1.0
  Se  Se4  9  0.0241  0.5121  0.7536  1.0
  Se  Se5  9  0.1688  0.3376  0.5796  1.0
  Se  Se6  3  0.0000  0.0000  0.2404  1.0
  Se  Se7  3  0.0000  0.0000  0.7571  1.0
]