data_[Li4Tb4Pm8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1289]
_cell_length_b [17.2541]
_cell_length_c [12.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTbPm2Se5]
_chemical_formula_sum '[Li4 Tb4 Pm8 Se20]'
_cell_volume [887.0753]
_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  0.4864  0.4816  1
  Tb  Tb1  4  0.0000  0.1963  0.0019  1
  Pm  Pm2  4  0.0000  0.1079  0.6851  1
  Pm  Pm3  4  0.0000  0.1247  0.2964  1
  Se  Se4  4  0.0000  0.0461  0.0732  1
  Se  Se5  4  0.0000  0.2861  0.6620  1
  Se  Se6  4  0.0000  0.3079  0.3413  1
  Se  Se7  4  0.0000  0.3624  0.9980  1
  Se  Se8  4  0.0000  0.4993  0.2844  1
]