data_[Ho8Tm2Sc6]
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 [Pmn2_1]
_cell_length_a [10.8442]
_cell_length_b [7.0114]
_cell_length_c [6.0482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ho4TmSc3]
_chemical_formula_sum '[Ho8 Tm2 Sc6]'
_cell_volume [459.8633]
_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  0.2495  0.1265  0.0247  1.0
  Ho  Ho1  2  0.0000  0.1280  0.3612  1.0
  Ho  Ho2  2  0.0000  0.6221  0.3536  1.0
  Tm  Tm3  2  0.0000  0.3791  0.8503  1.0
  Sc  Sc4  4  0.2465  0.6240  0.0197  1.0
  Sc  Sc5  2  0.0000  0.8723  0.8613  1.0
]