data_[Li2Tb6Pm4Se12]
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 [C2/m]
_cell_length_a [7.1145]
_cell_length_b [12.3601]
_cell_length_c [7.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTb3(PmSe3)2]
_chemical_formula_sum '[Li2 Tb6 Pm4 Se12]'
_cell_volume [589.8394]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Tb  Tb1  4  0.0000  0.1684  0.5000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Pm  Pm3  4  0.0000  0.3345  0.0000  1
  Se  Se4  8  0.2436  0.1604  0.2509  1
  Se  Se5  4  0.2358  0.0000  0.7503  1
]