data_[Tb12Sn4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7140]
_cell_length_b [13.0273]
_cell_length_c [10.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3SnC]
_chemical_formula_sum '[Tb12 Sn4 C4]'
_cell_volume [484.5905]
_cell_formula_units_Z [4]
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  0.0000  0.1241  0.0372  1.0
  Tb  Tb1  4  0.0000  0.4630  0.2500  1.0
  Sn  Sn2  4  0.0000  0.2487  0.7500  1.0
  C  C3  4  0.0000  0.5000  0.0000  1.0
]