data_[Li4La8Er4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4706]
_cell_length_b [18.8662]
_cell_length_c [13.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2ErTe5]
_chemical_formula_sum '[Li4 La8 Er4 Te20]'
_cell_volume [1119.1554]
_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  0.0000  0.4408  0.4616  1.0
  La  La1  4  0.0000  0.1066  0.6852  1.0
  La  La2  4  0.0000  0.1256  0.3037  1.0
  Er  Er3  4  0.0000  0.1979  0.0100  1.0
  Te  Te4  4  0.0000  0.0477  0.0679  1.0
  Te  Te5  4  0.0000  0.2844  0.6665  1.0
  Te  Te6  4  0.0000  0.3095  0.3495  1.0
  Te  Te7  4  0.0000  0.3601  0.9992  1.0
  Te  Te8  4  0.0000  0.4983  0.7804  1.0
]