data_[Tb2Zr10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7314]
_cell_length_b [3.3910]
_cell_length_c [6.8446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbZr5C4]
_chemical_formula_sum '[Tb2 Zr10 C8]'
_cell_volume [331.3871]
_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  2  0.0000  0.5000  0.0000  1
  Zr  Zr1  4  0.1647  0.0000  0.3180  1
  Zr  Zr2  4  0.1656  0.0000  0.8530  1
  Zr  Zr3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.0047  0.0000  0.2698  1
  C  C5  4  0.1734  0.5000  0.0940  1
]