data_[Tb8Bi6As2]
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 [Cmmm]
_cell_length_a [8.8526]
_cell_length_b [12.4595]
_cell_length_c [4.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4Bi3As]
_chemical_formula_sum '[Tb8 Bi6 As2]'
_cell_volume [483.8942]
_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  0.0000  0.2413  0.5000  1
  Tb  Tb1  4  0.2342  0.0000  0.0000  1
  Bi  Bi2  4  0.2500  0.2500  0.0000  1
  Bi  Bi3  2  0.0000  0.5000  0.5000  1
  As  As4  2  0.0000  0.0000  0.5000  1
]