data_[Tb12Pr3Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0388]
_cell_length_b [5.0388]
_cell_length_c [20.1517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb12Pr3Zr]
_chemical_formula_sum '[Tb12 Pr3 Zr1]'
_cell_volume [511.6401]
_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  4  0.0000  0.5000  0.1156  1
  Tb  Tb1  4  0.0000  0.5000  0.3722  1
  Tb  Tb2  2  0.5000  0.5000  0.2449  1
  Tb  Tb3  1  0.5000  0.5000  0.0000  1
  Tb  Tb4  1  0.5000  0.5000  0.5000  1
  Pr  Pr5  2  0.0000  0.0000  0.2467  1
  Pr  Pr6  1  0.0000  0.0000  0.5000  1
  Zr  Zr7  1  0.0000  0.0000  0.0000  1
]