data_[Ho4Er6Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [15.3141]
_cell_length_b [3.5542]
_cell_length_c [8.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er3Th2]
_chemical_formula_sum '[Ho4 Er6 Th4]'
_cell_volume [438.2342]
_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
[
  Ho  Ho0  4  0.2152  0.5000  0.1403  1
  Er  Er1  4  0.1398  0.0000  0.4329  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0709  0.5000  0.7128  1
]