data_[Tb8P2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3959]
_cell_length_b [3.9117]
_cell_length_c [8.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4PCl5]
_chemical_formula_sum '[Tb8 P2 Cl10]'
_cell_volume [530.3876]
_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  0.0000  0.0000  0.7749  1.0
  Tb  Tb1  4  0.1535  0.5000  0.0859  1.0
  P  P2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1657  0.0000  0.3313  1.0
  Cl  Cl4  4  0.1723  0.0000  0.8464  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]