data_[Tb12As4C4]
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 [Pnma]
_cell_length_a [8.0344]
_cell_length_b [3.8819]
_cell_length_c [13.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3AsC]
_chemical_formula_sum '[Tb12 As4 C4]'
_cell_volume [433.6808]
_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  4  0.0173  0.2500  0.8982  1
  Tb  Tb1  4  0.1671  0.2500  0.4848  1
  Tb  Tb2  4  0.1947  0.7500  0.7059  1
  As  As3  4  0.0924  0.7500  0.3201  1
  C  C4  4  0.1745  0.2500  0.0550  1
]