data_[Li6Er2Sn12]
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 [P2_1/m]
_cell_length_a [10.1471]
_cell_length_b [4.4807]
_cell_length_c [10.2645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3ErSn6]
_chemical_formula_sum '[Li6 Er2 Sn12]'
_cell_volume [466.6775]
_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  0.2510  0.2500  0.9988  1
  Li  Li1  2  0.3494  0.7500  0.7971  1
  Li  Li2  2  0.4400  0.2500  0.6025  1
  Er  Er3  2  0.0690  0.2500  0.3801  1
  Sn  Sn4  2  0.0580  0.7500  0.8998  1
  Sn  Sn5  2  0.1595  0.2500  0.7032  1
  Sn  Sn6  2  0.1785  0.7500  0.1820  1
  Sn  Sn7  2  0.2614  0.7500  0.5105  1
  Sn  Sn8  2  0.3762  0.2500  0.3101  1
  Sn  Sn9  2  0.4744  0.7500  0.1001  1
]