data_[Ho4Tm2Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1357]
_cell_length_b [7.0858]
_cell_length_c [8.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2TmTh3]
_chemical_formula_sum '[Ho4 Tm2 Th6]'
_cell_volume [378.1555]
_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  2  0.0006  0.7500  0.5007  1
  Ho  Ho1  2  0.3339  0.2500  0.8337  1
  Tm  Tm2  2  0.3333  0.7500  0.8330  1
  Th  Th3  4  0.1666  0.0004  0.1661  1
  Th  Th4  2  0.5000  0.0000  0.5000  1
]