data_[Li4Pr8Nd4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4719]
_cell_length_b [19.0140]
_cell_length_c [13.3923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2NdTe5]
_chemical_formula_sum '[Li4 Pr8 Nd4 Te20]'
_cell_volume [1138.7185]
_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  0.4459  0.4652  1.0
  Pr  Pr1  4  0.0000  0.1060  0.6848  1.0
  Pr  Pr2  4  0.0000  0.1251  0.3019  1.0
  Nd  Nd3  4  0.0000  0.1994  0.0069  1.0
  Te  Te4  4  0.0000  0.0466  0.0732  1.0
  Te  Te5  4  0.0000  0.2839  0.6712  1.0
  Te  Te6  4  0.0000  0.3143  0.3411  1.0
  Te  Te7  4  0.0000  0.3658  0.9977  1.0
  Te  Te8  4  0.0000  0.4986  0.7819  1.0
]