data_[Li6Er15Sn15]
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 [R-3m]
_cell_length_a [4.8681]
_cell_length_b [4.8681]
_cell_length_c [44.1706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2(ErSn)5]
_chemical_formula_sum '[Li6 Er15 Sn15]'
_cell_volume [906.5184]
_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  6  0.0000  0.0000  0.4324  1.0
  Er  Er1  6  0.0000  0.0000  0.1955  1.0
  Er  Er2  6  0.0000  0.0000  0.2762  1.0
  Er  Er3  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  6  0.0000  0.0000  0.0970  1.0
  Sn  Sn5  6  0.0000  0.0000  0.3619  1.0
  Sn  Sn6  3  -0.0000  -0.0000  0.5000  1.0
]