data_[Li2Tb1Mg1Ge2]
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
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3746]
_cell_length_b [4.3746]
_cell_length_c [6.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2TbMgGe2]
_chemical_formula_sum '[Li2 Tb1 Mg1 Ge2]'
_cell_volume [111.8121]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3206  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.7526  1.0
]