data_[Tb2Zr2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9425]
_cell_length_b [3.4839]
_cell_length_c [18.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbZrCl4]
_chemical_formula_sum '[Tb2 Zr2 Cl8]'
_cell_volume [846.8964]
_cell_formula_units_Z [2]
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  2  0.1464  0.7500  0.4938  1
  Zr  Zr1  2  0.4047  0.2500  0.4948  1
  Cl  Cl2  2  0.0372  0.2500  0.5815  1
  Cl  Cl3  2  0.2358  0.2500  0.4014  1
  Cl  Cl4  2  0.3050  0.7500  0.5838  1
  Cl  Cl5  2  0.4661  0.7500  0.3993  1
]