data_[Ho6Er16Th4]
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 [Cmmm]
_cell_length_a [7.3181]
_cell_length_b [20.6650]
_cell_length_c [5.6002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho3(Er4Th)2]
_chemical_formula_sum '[Ho6 Er16 Th4]'
_cell_volume [846.9161]
_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  0.2259  0.5000  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Er  Er2  8  0.2186  0.3906  0.5000  1
  Er  Er3  4  0.0000  0.1386  0.0000  1
  Er  Er4  4  0.0000  0.3349  0.0000  1
  Th  Th5  4  0.0000  0.2452  0.5000  1
]