data_[Tb1Y1Sn1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1934]
_cell_length_b [4.1934]
_cell_length_c [9.9377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbYSnCl2]
_chemical_formula_sum '[Tb1 Y1 Sn1 Cl2]'
_cell_volume [151.3414]
_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
[
  Tb  Tb0  1  0.6667  0.3333  0.3177  1
  Y  Y1  1  0.3333  0.6667  0.6821  1
  Sn  Sn2  1  0.0000  0.0000  0.5004  1
  Cl  Cl3  1  0.3333  0.6667  0.1673  1
  Cl  Cl4  1  0.6667  0.3333  0.8324  1
]