data_[Li2Er16In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7282]
_cell_length_b [5.1999]
_cell_length_c [6.8492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Er4In)2]
_chemical_formula_sum '[Li2 Er16 In4]'
_cell_volume [617.1271]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Er  Er1  4  0.0220  0.0000  0.7623  1.0
  Er  Er2  4  0.0941  0.5000  0.4557  1.0
  Er  Er3  4  0.1558  0.5000  0.9481  1.0
  Er  Er4  4  0.1893  0.0000  0.2658  1.0
  In  In5  4  0.1978  0.0000  0.7213  1.0
]