data_[Li4Pm4Th8Te20]
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
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3280]
_cell_length_b [18.7367]
_cell_length_c [13.4011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPmTh2Te5]
_chemical_formula_sum '[Li4 Pm4 Th8 Te20]'
_cell_volume [1086.7181]
_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  0.4417  0.4641  1
  Pm  Pm1  4  0.0000  0.2009  0.0057  1
  Th  Th2  4  0.0000  0.1070  0.6809  1
  Th  Th3  4  0.0000  0.1302  0.3015  1
  Te  Te4  4  0.0000  0.0473  0.0769  1
  Te  Te5  4  0.0000  0.2832  0.6712  1
  Te  Te6  4  0.0000  0.3130  0.3380  1
  Te  Te7  4  0.0000  0.3682  0.9989  1
  Te  Te8  4  0.0000  0.4982  0.7866  1
]