data_[Ho4Er2Th6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9200]
_cell_length_b [11.9262]
_cell_length_c [7.5827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er(ThSe2)3]
_chemical_formula_sum '[Ho4 Er2 Th6 Se12]'
_cell_volume [596.6205]
_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  0.0000  0.3335  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.1673  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2429  0.1661  0.2305  1
  Se  Se5  4  0.2450  0.5000  0.2313  1
]