data_[Tb12As2C4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3924]
_cell_length_b [3.8947]
_cell_length_c [8.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6AsC2Se3]
_chemical_formula_sum '[Tb12 As2 C4 Se6]'
_cell_volume [529.4393]
_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  0.0197  0.0000  0.2576  1.0
  Tb  Tb1  4  0.1702  0.5000  0.1234  1.0
  Tb  Tb2  4  0.1785  0.5000  0.5601  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.1618  0.0000  0.8323  1.0
  C  C5  4  0.1700  0.0000  0.3378  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]