data_[Li12Er4Cd8]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9556]
_cell_length_b [4.4317]
_cell_length_c [8.2909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ErCd2]
_chemical_formula_sum '[Li12 Er4 Cd8]'
_cell_volume [501.8838]
_cell_formula_units_Z [4]
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  4  0.0798  0.0000  0.7024  1
  Li  Li1  4  0.0994  0.5000  0.5108  1
  Li  Li2  4  0.2437  0.0000  0.0889  1
  Er  Er3  4  0.0932  0.0000  0.2216  1
  Cd  Cd4  4  0.0781  0.5000  0.9250  1
  Cd  Cd5  4  0.2414  0.0000  0.6491  1
]