data_[Ho1Er4Th1]
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 [Pmmm]
_cell_length_a [3.3651]
_cell_length_b [5.8139]
_cell_length_c [9.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [HoEr4Th]
_chemical_formula_sum '[Ho1 Er4 Th1]'
_cell_volume [191.8447]
_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  1  0.5000  0.0000  0.5000  1
  Er  Er1  2  0.0000  0.0000  0.1860  1
  Er  Er2  2  0.5000  0.5000  0.3094  1
  Th  Th3  1  0.0000  0.5000  0.0000  1
]