data_[Li4Er12Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2926]
_cell_length_b [4.5281]
_cell_length_c [14.5607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(ErSn)3]
_chemical_formula_sum '[Li4 Er12 Sn12]'
_cell_volume [705.3415]
_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  0.2385  0.0000  0.3976  1
  Er  Er1  4  0.0341  0.5000  0.3850  1
  Er  Er2  4  0.0926  0.5000  0.9183  1
  Er  Er3  4  0.2406  0.5000  0.2232  1
  Sn  Sn4  4  0.0265  0.0000  0.2365  1
  Sn  Sn5  4  0.1330  0.0000  0.0743  1
  Sn  Sn6  4  0.1383  0.0000  0.5525  1
]