data_[Tb4Mo4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8500]
_cell_length_b [3.3613]
_cell_length_c [5.7516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Mo2C3]
_chemical_formula_sum '[Tb4 Mo4 C6]'
_cell_volume [210.9456]
_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  4  0.1096  0.5000  0.8227  1.0
  Mo  Mo1  4  0.1578  0.0000  0.3251  1.0
  C  C2  4  0.2488  0.0000  0.7323  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]