data_[Li3Er3Al6Pt12]
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
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2868]
_cell_length_b [4.2868]
_cell_length_c [24.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiEr(AlPt2)2]
_chemical_formula_sum '[Li3 Er3 Al6 Pt12]'
_cell_volume [390.3055]
_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  3  -0.0000  -0.0000  0.5000  1
  Er  Er1  3  0.0000  0.0000  0.0000  1
  Al  Al2  6  0.0000  0.0000  0.2385  1
  Pt  Pt3  6  0.0000  0.0000  0.1305  1
  Pt  Pt4  6  0.0000  0.0000  0.3999  1
]