data_[Y6Ho8Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.1190]
_cell_length_b [7.2140]
_cell_length_c [6.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Y3Ho4Sc]
_chemical_formula_sum '[Y6 Ho8 Sc2]'
_cell_volume [501.3037]
_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
[
  Y  Y0  4  0.2490  0.3759  0.0201  1.0
  Y  Y1  2  0.0000  0.3754  0.3547  1.0
  Ho  Ho2  4  0.2452  0.8736  0.0172  1.0
  Ho  Ho3  2  0.0000  0.1248  0.8470  1.0
  Ho  Ho4  2  0.0000  0.8747  0.3538  1.0
  Sc  Sc5  2  0.0000  0.6251  0.8546  1.0
]