data_[Y10Tm12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pbam]
_cell_length_a [11.4110]
_cell_length_b [20.6262]
_cell_length_c [3.5353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Y5(Tm3Th)2]
_chemical_formula_sum '[Y10 Tm12 Th4]'
_cell_volume [832.0841]
_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
[
  Y  Y0  4  0.0668  0.2062  0.5000  1
  Y  Y1  4  0.1910  0.9228  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Tm  Tm3  4  0.0619  0.3523  0.0000  1
  Tm  Tm4  4  0.0800  0.0622  0.0000  1
  Tm  Tm5  4  0.1859  0.6225  0.5000  1
  Th  Th6  4  0.1886  0.7638  0.0000  1
]