data_[Tb4Mg12Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3185]
_cell_length_b [12.2230]
_cell_length_c [4.3370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TbMg3Cu]
_chemical_formula_sum '[Tb4 Mg12 Cu4]'
_cell_volume [440.9692]
_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  0.0000  0.2923  0.5000  1
  Mg  Mg1  8  0.1950  0.1293  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  2  0.0000  0.5000  0.0000  1
  Cu  Cu4  4  0.1861  0.5000  0.5000  1
]