data_[Tb4B1C1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5208]
_cell_length_b [3.7670]
_cell_length_c [7.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4BCCl2]
_chemical_formula_sum '[Tb4 B1 C1 Cl2]'
_cell_volume [166.4578]
_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  2  0.2266  0.5000  0.1918  1.0
  Tb  Tb1  2  0.2629  0.0000  0.8033  1.0
  B  B2  1  0.5000  0.5000  0.0000  1.0
  C  C3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]