data_[Tb12Bi6As4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  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 [18.8128]
_cell_length_b [4.2814]
_cell_length_c [8.6805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Bi3As2Se]
_chemical_formula_sum '[Tb12 Bi6 As4 Se2]'
_cell_volume [677.9255]
_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  0.0064  0.0000  0.2444  1.0
  Tb  Tb1  4  0.1650  0.5000  0.0998  1.0
  Tb  Tb2  4  0.1723  0.5000  0.5694  1.0
  Bi  Bi3  4  0.1648  0.0000  0.8335  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  As  As5  4  0.1667  0.0000  0.3324  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]