data_[Tb2Cr8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8972]
_cell_length_b [6.8972]
_cell_length_c [9.6097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb(Cr2Sn3)2]
_chemical_formula_sum '[Tb2 Cr8 Sn12]'
_cell_volume [457.1479]
_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  0.0000  0.0000  1
  Cr  Cr1  8  0.1489  0.1489  0.5553  1
  Sn  Sn2  8  0.1885  0.1885  0.2770  1
  Sn  Sn3  4  0.0000  0.5000  0.0000  1
]