data_[Nd8Y20Tm4Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7410]
_cell_length_b [8.7410]
_cell_length_c [15.4953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd2Y5TmTh]
_chemical_formula_sum '[Nd8 Y20 Tm4 Th4]'
_cell_volume [1183.9204]
_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
[
  Nd  Nd0  8  0.1162  0.3838  0.0000  1
  Y  Y1  16  0.2127  0.2873  0.3604  1
  Y  Y2  4  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.5000  0.2500  1
  Th  Th4  4  0.0000  0.0000  0.2500  1
]