data_[La2Tb1Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.9713]
_cell_length_b [7.9713]
_cell_length_c [3.6189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [La2TbZn6]
_chemical_formula_sum '[La2 Tb1 Zn6]'
_cell_volume [199.1427]
_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
[
  La  La0  2  0.3333  0.6667  0.0000  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  6  0.0000  0.3272  0.5000  1
]