data_[Ho4Er7Th1]
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 [P-1]
_cell_length_a [6.7157]
_cell_length_b [6.9159]
_cell_length_c [8.5908]
_cell_angle_alpha [79.1880]
_cell_angle_beta [76.9498]
_cell_angle_gamma [76.1876]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho4Er7Th]
_chemical_formula_sum '[Ho4 Er7 Th1]'
_cell_volume [373.6706]
_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  2  0.1856  0.6091  0.3338  1
  Ho  Ho1  2  0.3431  0.2304  0.6838  1
  Er  Er2  2  0.1777  0.1078  0.3660  1
  Er  Er3  2  0.3223  0.7357  0.6723  1
  Er  Er4  2  0.4801  0.2496  0.0255  1
  Er  Er5  1  0.0000  0.5000  0.0000  1
  Th  Th6  1  0.0000  0.0000  0.0000  1
]