data_[Ho4Er6Th2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3564]
_cell_length_b [4.2694]
_cell_length_c [8.8668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er3ThTe6]
_chemical_formula_sum '[Ho4 Er6 Th2 Te12]'
_cell_volume [701.6897]
_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  0.1566  0.0000  0.3095  1
  Er  Er1  4  0.1608  0.0000  0.8212  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0017  0.0000  0.7380  1
  Te  Te5  4  0.1707  0.5000  0.5749  1
  Te  Te6  4  0.1733  0.5000  0.0741  1
]