data_[Ho1Tm6Sc1]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3977]
_cell_length_b [6.6549]
_cell_length_c [6.6941]
_cell_angle_alpha [118.5246]
_cell_angle_beta [102.2213]
_cell_angle_gamma [92.1326]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoTm6Sc]
_chemical_formula_sum '[Ho1 Tm6 Sc1]'
_cell_volume [241.5422]
_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  0.0000  1
  Tm  Tm1  2  0.2270  0.9059  0.4690  1
  Tm  Tm2  2  0.2482  0.4390  0.9970  1
  Tm  Tm3  2  0.2612  0.4201  0.5106  1
  Sc  Sc4  1  0.0000  0.0000  0.0000  1
]