data_[Th2Zr10Sc24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6498]
_cell_length_b [9.7897]
_cell_length_c [15.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThZr5Sc12]
_chemical_formula_sum '[Th2 Zr10 Sc24]'
_cell_volume [874.9353]
_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
[
  Th  Th0  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  4  0.0000  0.1671  0.5000  1
  Zr  Zr2  4  0.0000  0.3333  0.0000  1
  Zr  Zr3  2  0.0000  0.5000  0.5000  1
  Sc  Sc4  8  0.1115  0.1678  0.8317  1
  Sc  Sc5  8  0.2194  0.3332  0.6602  1
  Sc  Sc6  4  0.1079  0.5000  0.8317  1
  Sc  Sc7  4  0.2199  0.0000  0.6599  1
]