data_[Li3Er9Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3738]
_cell_length_b [5.3738]
_cell_length_c [26.3059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiEr3Zn8]
_chemical_formula_sum '[Li3 Er9 Zn24]'
_cell_volume [657.8903]
_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  0.1273  1.0
  Er  Er1  3  0.0000  0.0000  0.0050  1.0
  Er  Er2  3  0.0000  0.0000  0.4972  1.0
  Er  Er3  3  0.0000  0.0000  0.6225  1.0
  Zn  Zn4  9  0.0010  0.5005  0.0630  1.0
  Zn  Zn5  9  0.1668  0.3335  0.8949  1.0
  Zn  Zn6  3  0.0000  0.0000  0.3126  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8119  1.0
]