data_[Tb16As4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1874]
_cell_length_b [7.3118]
_cell_length_c [6.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8As2C3]
_chemical_formula_sum '[Tb16 As4 C6]'
_cell_volume [633.4479]
_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  0.1019  0.2391  0.3953  1.0
  Tb  Tb1  4  0.0983  0.0000  0.9019  1.0
  Tb  Tb2  4  0.0997  0.5000  0.9123  1.0
  As  As3  4  0.2455  0.5000  0.6745  1.0
  C  C4  4  0.0000  0.2537  0.0000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]