data_[Ho7Er3Th1]
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 [P3m1]
_cell_length_a [6.9978]
_cell_length_b [6.9978]
_cell_length_c [8.5664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho7Er3Th]
_chemical_formula_sum '[Ho7 Er3 Th1]'
_cell_volume [363.2906]
_cell_formula_units_Z [1]
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  3  0.1695  0.8305  0.1197  1
  Ho  Ho1  3  0.3356  0.1678  0.4489  1
  Ho  Ho2  1  0.6667  0.3333  0.1142  1
  Er  Er3  3  0.0025  0.5012  0.7819  1
  Th  Th4  1  0.3333  0.6667  0.4495  1
]