data_[Tb6Ni8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9549]
_cell_length_b [4.0421]
_cell_length_c [23.8311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3(NiAs)4]
_chemical_formula_sum '[Tb6 Ni8 As8]'
_cell_volume [380.9633]
_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  0.0000  0.3488  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  4  0.0000  0.0000  0.0959  1.0
  Ni  Ni3  4  0.0000  0.5000  0.2493  1.0
  As  As4  4  0.0000  0.0000  0.1941  1.0
  As  As5  4  0.0000  0.5000  0.0541  1.0
]