data_[Li6Tb6Bi6]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4687]
_cell_length_b [4.5721]
_cell_length_c [13.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbBi]
_chemical_formula_sum '[Li6 Tb6 Bi6]'
_cell_volume [447.8130]
_cell_formula_units_Z [6]
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  0.0072  0.7500  0.0968  1
  Li  Li1  2  0.1776  0.7500  0.4504  1
  Li  Li2  2  0.3490  0.2500  0.8037  1
  Tb  Tb3  2  0.0091  0.7500  0.6893  1
  Tb  Tb4  2  0.3440  0.2500  0.0730  1
  Tb  Tb5  2  0.4904  0.2500  0.3733  1
  Bi  Bi6  2  0.2192  0.7500  0.9059  1
  Bi  Bi7  2  0.2248  0.2500  0.5669  1
  Bi  Bi8  2  0.2796  0.7500  0.2437  1
]