data_[Li4Pm8Sm4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  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 [4.4136]
_cell_length_b [18.7770]
_cell_length_c [13.2902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPm2SmTe5]
_chemical_formula_sum '[Li4 Pm8 Sm4 Te20]'
_cell_volume [1101.4203]
_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  0.4449  0.4645  1
  Pm  Pm1  4  0.0000  0.1059  0.6848  1
  Pm  Pm2  4  0.0000  0.1257  0.3010  1
  Sm  Sm3  4  0.0000  0.1985  0.0075  1
  Te  Te4  4  0.0000  0.0463  0.0740  1
  Te  Te5  4  0.0000  0.2834  0.6708  1
  Te  Te6  4  0.0000  0.3137  0.3413  1
  Te  Te7  4  0.0000  0.3648  0.9979  1
  Te  Te8  4  0.0000  0.4982  0.7821  1
]