data_[Li4Pr8Sm4Te20]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4548]
_cell_length_b [18.9267]
_cell_length_c [13.3399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2SmTe5]
_chemical_formula_sum '[Li4 Pr8 Sm4 Te20]'
_cell_volume [1124.7566]
_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  0.4442  0.4644  1.0
  Pr  Pr1  4  0.0000  0.1060  0.6850  1.0
  Pr  Pr2  4  0.0000  0.1257  0.3020  1.0
  Sm  Sm3  4  0.0000  0.1987  0.0077  1.0
  Te  Te4  4  0.0000  0.0470  0.0725  1.0
  Te  Te5  4  0.0000  0.2835  0.6696  1.0
  Te  Te6  4  0.0000  0.3130  0.3428  1.0
  Te  Te7  4  0.0000  0.3640  0.9979  1.0
  Te  Te8  4  0.0000  0.4985  0.7821  1.0
]