data_[Tb12Sb6As2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5608]
_cell_length_b [4.2671]
_cell_length_c [8.5354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Sb3AsSe2]
_chemical_formula_sum '[Tb12 Sb6 As2 Se4]'
_cell_volume [657.8195]
_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  0.0010  0.0000  0.2374  1.0
  Tb  Tb1  4  0.1611  0.5000  0.0855  1.0
  Tb  Tb2  4  0.1678  0.5000  0.5787  1.0
  Sb  Sb3  4  0.1686  0.0000  0.8332  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  As  As5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1669  0.0000  0.3343  1.0
]