data_[Nd6Y12Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1810]
_cell_length_b [10.8209]
_cell_length_c [11.6540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Y3Th)2]
_chemical_formula_sum '[Nd6 Y12 Th4]'
_cell_volume [764.6298]
_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
[
  Nd  Nd0  4  0.0000  0.3350  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Y  Y2  8  0.2417  0.3343  0.7406  1
  Y  Y3  4  0.2419  0.0000  0.7456  1
  Th  Th4  4  0.0000  0.1614  0.5000  1
]