data_[Y8Ho2Th10]
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 [17.6631]
_cell_length_b [3.4466]
_cell_length_c [11.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4HoTh5]
_chemical_formula_sum '[Y8 Ho2 Th10]'
_cell_volume [651.6673]
_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  0.0931  0.0000  0.8070  1
  Y  Y1  4  0.1968  0.5000  0.0905  1
  Ho  Ho2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.1091  0.0000  0.2956  1
  Th  Th4  4  0.1976  0.0000  0.5928  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]