data_[Ho4Sc10Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.6372]
_cell_length_b [13.2912]
_cell_length_c [4.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ho2Sc5Tl]
_chemical_formula_sum '[Ho4 Sc10 Tl2]'
_cell_volume [411.1272]
_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  0.2446  0.1290  0.5000  1.0
  Sc  Sc1  4  0.0054  0.2559  0.0000  1.0
  Sc  Sc2  4  0.2416  0.8743  0.5000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
]