data_[Tb2Mg4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1150]
_cell_length_b [4.2144]
_cell_length_c [6.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(MgAu4)2]
_chemical_formula_sum '[Tb2 Mg4 Au16]'
_cell_volume [413.2952]
_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  2  0.0000  0.5000  0.0000  1
  Mg  Mg1  4  0.2227  0.0000  0.6564  1
  Au  Au2  4  0.0429  0.0000  0.7208  1
  Au  Au3  4  0.1049  0.5000  0.4613  1
  Au  Au4  4  0.1442  0.0000  0.2026  1
  Au  Au5  4  0.1822  0.5000  0.9093  1
]