data_[Li3Ce3Ho6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4119]
_cell_length_b [3.4119]
_cell_length_c [33.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiCeHo2]
_chemical_formula_sum '[Li3 Ce3 Ho6]'
_cell_volume [340.1932]
_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  0.6665  1
  Ce  Ce1  3  0.0000  0.0000  0.5001  1
  Ho  Ho2  3  0.0000  0.0000  0.0812  1
  Ho  Ho3  3  0.0000  0.0000  0.2522  1
]