data_[Tb4Au4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4464]
_cell_length_b [3.8084]
_cell_length_c [8.1153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAuF]
_chemical_formula_sum '[Tb4 Au4 F4]'
_cell_volume [250.0070]
_cell_formula_units_Z [4]
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  0.1799  0.5000  0.7570  1
  Au  Au1  4  0.1147  0.0000  0.4311  1
  F  F2  4  0.1976  0.5000  0.0623  1
]