data_[Tb16Er4Zr2]
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 [C2/m]
_cell_length_a [17.8927]
_cell_length_b [4.9607]
_cell_length_c [7.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Er2Zr]
_chemical_formula_sum '[Tb16 Er4 Zr2]'
_cell_volume [673.4179]
_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  0.0443  0.0000  0.7362  1
  Tb  Tb1  4  0.0896  0.5000  0.4444  1
  Tb  Tb2  4  0.1325  0.0000  0.1762  1
  Tb  Tb3  4  0.1790  0.5000  0.9109  1
  Er  Er4  4  0.2260  0.0000  0.6342  1
  Zr  Zr5  2  0.0000  0.5000  0.0000  1
]