data_[Y4Ho6Er12Th2]
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
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1191]
_cell_length_b [10.5931]
_cell_length_c [11.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ho3Er6Th]
_chemical_formula_sum '[Y4 Ho6 Er12 Th2]'
_cell_volume [746.4683]
_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  0.0000  0.3332  0.0000  1
  Ho  Ho1  4  0.0000  0.1674  0.5000  1
  Ho  Ho2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.2490  0.1648  0.2509  1
  Er  Er4  4  0.2453  0.0000  0.7492  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]