data_[Tb6Er12Zr2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0198]
_cell_length_b [10.3850]
_cell_length_c [11.4468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Er6ZrSc2]
_chemical_formula_sum '[Tb6 Er12 Zr2 Sc4]'
_cell_volume [704.5198]
_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  4  0.0000  0.1668  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  8  0.2444  0.1647  0.2386  1.0
  Er  Er3  4  0.2497  0.0000  0.7619  1.0
  Zr  Zr4  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc5  4  0.0000  0.3333  0.0000  1.0
]