data_[Li4Tb4Ni4Te12]
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
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0629]
_cell_length_b [14.6620]
_cell_length_c [10.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTbNiTe3]
_chemical_formula_sum '[Li4 Tb4 Ni4 Te12]'
_cell_volume [635.7908]
_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  0.2660  0.7500  1
  Tb  Tb1  4  0.0000  0.5000  0.0000  1
  Ni  Ni2  4  0.0000  0.0112  0.2500  1
  Te  Te3  8  0.0000  0.1418  0.0908  1
  Te  Te4  4  0.0000  0.4009  0.2500  1
]