data_[Li4Pm8Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5076]
_cell_length_b [15.2575]
_cell_length_c [8.2215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(PmTe)2]
_chemical_formula_sum '[Li4 Pm8 Te8]'
_cell_volume [565.4403]
_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  0.4077  0.4018  1
  Pm  Pm1  4  0.0000  0.0416  0.2875  1
  Pm  Pm2  4  0.0000  0.2201  0.6268  1
  Te  Te3  4  0.0000  0.1580  0.9838  1
  Te  Te4  4  0.0000  0.4285  0.0657  1
]