data_[La8Er2Tm20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7663]
_cell_length_b [9.7663]
_cell_length_c [10.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La4ErTm10]
_chemical_formula_sum '[La8 Er2 Tm20]'
_cell_volume [1006.6492]
_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
[
  La  La0  8  0.0686  0.3362  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  16  0.1122  0.2094  0.3384  1
  Tm  Tm3  4  0.0000  0.5000  0.2500  1
]