data_[Tb4As2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [7.3722]
_cell_length_b [21.0564]
_cell_length_c [7.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Tb2AsCl3]
_chemical_formula_sum '[Tb4 As2 Cl6]'
_cell_volume [1138.0014]
_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  4  0.2500  0.0543  0.2500  1
  As  As1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.0000  0.1438  0.1862  1
  Cl  Cl3  2  0.0000  0.0000  0.0000  1
]