data_[Tb1Y1Ni4B4C2]
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
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5394]
_cell_length_b [3.5394]
_cell_length_c [10.4554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbYNi4(B2C)2]
_chemical_formula_sum '[Tb1 Y1 Ni4 B4 C2]'
_cell_volume [130.9813]
_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  0.0000  0.0000  0.5000  1.0
  Y  Y1  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.0000  0.5000  0.2500  1.0
  B  B3  2  0.0000  0.0000  0.1425  1.0
  B  B4  2  0.5000  0.5000  0.3575  1.0
  C  C5  1  0.0000  0.0000  0.0000  1.0
  C  C6  1  0.5000  0.5000  0.5000  1.0
]