data_[Li2Er6Sc4Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5328]
_cell_length_b [4.2523]
_cell_length_c [8.4965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiEr3(ScTe3)2]
_chemical_formula_sum '[Li2 Er6 Sc4 Te12]'
_cell_volume [651.7778]
_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
  Er  Er1  4  0.1660  0.0000  0.8298  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  4  0.1697  0.0000  0.3448  1
  Te  Te4  4  0.0038  0.0000  0.2418  1
  Te  Te5  4  0.1638  0.5000  0.0904  1
  Te  Te6  4  0.1679  0.5000  0.5792  1
]