data_[Tb10As8H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.1319]
_cell_length_b [9.1319]
_cell_length_c [5.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tb5As4H]
_chemical_formula_sum '[Tb10 As8 H2]'
_cell_volume [481.6338]
_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  8  0.1046  0.3077  0.0003  1.0
  Tb  Tb1  2  0.0000  0.0000  0.4571  1.0
  As  As2  8  0.0997  0.2975  0.5004  1.0
  H  H3  2  0.0000  0.0000  0.0505  1.0
]