data_[Tb1Gd1Cu2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1507]
_cell_length_b [4.1507]
_cell_length_c [7.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TbGd(CuSi)2]
_chemical_formula_sum '[Tb1 Gd1 Cu2 Si2]'
_cell_volume [113.7155]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Gd  Gd1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.3333  0.6667  0.2508  1
  Si  Si3  2  0.3333  0.6667  0.7490  1
]