data_[Tb16Mg2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3570]
_cell_length_b [5.3892]
_cell_length_c [8.6054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8MgIn2]
_chemical_formula_sum '[Tb16 Mg2 In4]'
_cell_volume [650.6480]
_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  0.0645  0.0000  0.7208  1.0
  Tb  Tb1  4  0.0925  0.5000  0.4506  1.0
  Tb  Tb2  4  0.1365  0.0000  0.1833  1.0
  Tb  Tb3  4  0.1811  0.5000  0.9431  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  In  In5  4  0.2284  0.0000  0.6266  1.0
]