data_[Y24Tm4Th12]
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 [C2/m]
_cell_length_a [25.7259]
_cell_length_b [3.5213]
_cell_length_c [14.3647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TmTh3]
_chemical_formula_sum '[Y24 Tm4 Th12]'
_cell_volume [1299.5845]
_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
[
  Y  Y0  4  0.0195  0.5000  0.1858  1
  Y  Y1  4  0.0375  0.0000  0.6127  1
  Y  Y2  4  0.0899  0.5000  0.3970  1
  Y  Y3  4  0.1119  0.5000  0.8013  1
  Y  Y4  4  0.1886  0.5000  0.0017  1
  Y  Y5  4  0.2102  0.0000  0.4106  1
  Tm  Tm6  4  0.2343  0.0000  0.7869  1
  Th  Th7  4  0.0653  0.0000  0.9897  1
  Th  Th8  4  0.1410  0.0000  0.1988  1
  Th  Th9  4  0.1608  0.5000  0.6029  1
]