data_[Y10Ho4Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2568]
_cell_length_b [5.0422]
_cell_length_c [11.3105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Ho2Th3]
_chemical_formula_sum '[Y10 Ho4 Th6]'
_cell_volume [641.9491]
_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  0.1991  0.5000  0.1018  1
  Y  Y1  4  0.1996  0.0000  0.5995  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Ho  Ho3  4  0.0980  0.5000  0.7971  1
  Th  Th4  4  0.0975  0.0000  0.2996  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]