data_[Tb12Tm4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0540]
_cell_length_b [3.4418]
_cell_length_c [9.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3TmZr]
_chemical_formula_sum '[Tb12 Tm4 Zr4]'
_cell_volume [585.9900]
_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  0.0023  0.5000  0.7486  1.0
  Tb  Tb1  4  0.1064  0.0000  0.0443  1.0
  Tb  Tb2  4  0.2032  0.5000  0.3418  1.0
  Tm  Tm3  4  0.1031  0.0000  0.5606  1.0
  Zr  Zr4  4  0.2044  0.5000  0.8611  1.0
]