data_[Tb6Tm12Zr2]
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 [P2_1/m]
_cell_length_a [10.9959]
_cell_length_b [4.8941]
_cell_length_c [11.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3Tm6Zr]
_chemical_formula_sum '[Tb6 Tm12 Zr2]'
_cell_volume [593.0660]
_cell_formula_units_Z [2]
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  0.0010  0.7500  0.2484  1
  Tb  Tb1  2  0.2022  0.2500  0.3499  1
  Tb  Tb2  2  0.4006  0.7500  0.4496  1
  Tm  Tm3  2  0.1010  0.7500  0.5527  1
  Tm  Tm4  2  0.1053  0.2500  0.0480  1
  Tm  Tm5  2  0.2059  0.7500  0.8543  1
  Tm  Tm6  2  0.3022  0.2500  0.6582  1
  Tm  Tm7  2  0.3102  0.7500  0.1403  1
  Tm  Tm8  2  0.4980  0.7500  0.7642  1
  Zr  Zr9  2  0.4091  0.2500  0.9547  1
]