data_[Tb1Bi2As3]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0042]
_cell_length_b [5.4700]
_cell_length_c [20.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [109.3991]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbBi2As3]
_chemical_formula_sum '[Tb1 Bi2 As3]'
_cell_volume [430.6584]
_cell_formula_units_Z [1]
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  1  0.0417  0.9936  0.4541  1
  Bi  Bi1  1  0.3499  0.5979  0.3536  1
  Bi  Bi2  1  0.9254  0.9241  0.6340  1
  As  As3  1  0.3514  0.7379  0.5510  1
  As  As4  1  0.4165  0.3084  0.5673  1
  As  As5  1  0.7735  0.4382  0.4400  1
]