data_[Tb12Mg4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2200]
_cell_length_b [7.0716]
_cell_length_c [7.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Mg2C]
_chemical_formula_sum '[Tb12 Mg4 C2]'
_cell_volume [498.5315]
_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  8  0.0192  0.2561  0.7625  1
  Tb  Tb1  4  0.2440  0.5000  0.7055  1
  Mg  Mg2  4  0.2496  0.0000  0.7498  1
  C  C3  2  0.0000  0.5000  0.5000  1
]