data_[La2Y16Tm10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5726]
_cell_length_b [9.5726]
_cell_length_c [9.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaY8Tm5]
_chemical_formula_sum '[La2 Y16 Tm10]'
_cell_volume [915.2456]
_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  2  0.0000  0.5000  0.2500  1
  Y  Y1  8  0.0712  0.8289  0.1537  1
  Y  Y2  8  0.0875  0.6758  0.4968  1
  Tm  Tm3  8  0.1102  0.7077  0.8257  1
  Tm  Tm4  2  0.0000  0.0000  0.5000  1
]