data_[Er4Tm16Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6726]
_cell_length_b [14.3391]
_cell_length_c [6.5629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErTm4Th]
_chemical_formula_sum '[Er4 Tm16 Th4]'
_cell_volume [763.3406]
_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
[
  Er  Er0  4  0.0000  0.4114  0.7500  1
  Tm  Tm1  8  0.0923  0.1944  0.0354  1
  Tm  Tm2  8  0.2010  0.3721  0.3790  1
  Th  Th3  4  0.0000  0.0009  0.7500  1
]