data_[Tb18Er36Zr3]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1353]
_cell_length_b [12.1353]
_cell_length_c [14.0467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6Er12Zr]
_chemical_formula_sum '[Tb18 Er36 Zr3]'
_cell_volume [1791.4481]
_cell_formula_units_Z [3]
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  18  0.0275  0.5906  0.7098  1
  Er  Er1  18  0.0400  0.8615  0.8126  1
  Er  Er2  18  0.0660  0.1966  0.4059  1
  Zr  Zr3  3  0.0000  0.0000  0.0000  1
]