data_[Li2Tb2Er2Se6]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2909]
_cell_length_b [3.9506]
_cell_length_c [8.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbErSe3]
_chemical_formula_sum '[Li2 Tb2 Er2 Se6]'
_cell_volume [278.6132]
_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  0.0863  0.2500  0.5836  1.0
  Tb  Tb1  2  0.1877  0.2500  0.2246  1.0
  Er  Er2  2  0.3344  0.7500  0.8343  1.0
  Se  Se3  2  0.0918  0.2500  0.8714  1.0
  Se  Se4  2  0.2252  0.7500  0.4949  1.0
  Se  Se5  2  0.4260  0.7500  0.1722  1.0
]