data_[Tb4Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.2917]
_cell_length_b [10.0270]
_cell_length_c [5.8164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TbZr2]
_chemical_formula_sum '[Tb4 Zr8]'
_cell_volume [308.6203]
_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
[
  Tb  Tb0  4  0.0000  0.3354  0.9109  1
  Zr  Zr1  4  0.0000  0.1591  0.4316  1
  Zr  Zr2  2  0.0000  0.0000  0.8997  1
  Zr  Zr3  2  0.0000  0.5000  0.4107  1
]