data_[Tb1Mn1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3353]
_cell_length_b [6.3651]
_cell_length_c [6.8124]
_cell_angle_alpha [62.1888]
_cell_angle_beta [89.7197]
_cell_angle_gamma [63.0774]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbMnCl6]
_chemical_formula_sum '[Tb1 Mn1 Cl6]'
_cell_volume [209.0969]
_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  0.5000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0842  0.1414  0.2323  1.0
  Cl  Cl3  2  0.2252  0.1590  0.7657  1.0
  Cl  Cl4  2  0.3915  0.5106  0.2468  1.0
]