data_[La6Y12Ho2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [6.1928]
_cell_length_b [10.7151]
_cell_length_c [11.8180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Y6HoSc2]
_chemical_formula_sum '[La6 Y12 Ho2 Sc4]'
_cell_volume [771.9442]
_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
[
  La  La0  4  0.0000  0.1667  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  8  0.2476  0.1679  0.2387  1.0
  Y  Y3  4  0.2439  0.5000  0.2388  1.0
  Ho  Ho4  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc5  4  0.0000  0.3332  0.0000  1.0
]