data_[Tb5Mg4Cu1]
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 [P4/mmm]
_cell_length_a [3.7195]
_cell_length_b [3.7195]
_cell_length_c [18.9266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb5Mg4Cu]
_chemical_formula_sum '[Tb5 Mg4 Cu1]'
_cell_volume [261.8459]
_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  2  0.5000  0.5000  0.0855  1.0
  Tb  Tb1  2  0.5000  0.5000  0.2932  1.0
  Tb  Tb2  1  0.5000  0.5000  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.1917  1.0
  Mg  Mg4  2  0.0000  0.0000  0.3966  1.0
  Cu  Cu5  1  0.0000  0.0000  0.0000  1.0
]