data_[Tb4Er8Tm16]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.5572]
_cell_length_b [5.9750]
_cell_length_c [11.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tb(ErTm2)2]
_chemical_formula_sum '[Tb4 Er8 Tm16]'
_cell_volume [861.8462]
_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  0.2152  0.8991  0.3588  1.0
  Er  Er1  4  0.2148  0.2803  0.8592  1.0
  Er  Er2  2  0.0000  0.4403  0.5000  1.0
  Er  Er3  2  0.0000  0.7395  0.0000  1.0
  Tm  Tm4  4  0.0658  0.3552  0.2778  1.0
  Tm  Tm5  4  0.0676  0.8197  0.7794  1.0
  Tm  Tm6  4  0.1441  0.9310  0.5766  1.0
  Tm  Tm7  4  0.1453  0.2507  0.0771  1.0
]