data_[Li4Ca4Tb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4232]
_cell_length_b [4.0577]
_cell_length_c [10.8991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiCaTbSe3]
_chemical_formula_sum '[Li4 Ca4 Tb4 Se12]'
_cell_volume [593.6515]
_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  0.0043  0.2500  0.0862  1
  Ca  Ca1  4  0.2231  0.7500  0.0371  1
  Tb  Tb2  4  0.0135  0.7500  0.3298  1
  Se  Se3  4  0.1069  0.2500  0.8908  1
  Se  Se4  4  0.1149  0.7500  0.5639  1
  Se  Se5  4  0.1429  0.2500  0.2402  1
]