data_[La8Y10Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6740]
_cell_length_b [5.4735]
_cell_length_c [7.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Y5Sc2]
_chemical_formula_sum '[La8 Y10 Sc4]'
_cell_volume [720.8357]
_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  0.0591  0.0000  0.6994  1
  La  La1  4  0.1815  0.5000  0.8776  1
  Y  Y2  4  0.1294  0.0000  0.1981  1
  Y  Y3  4  0.2499  0.0000  0.6319  1
  Y  Y4  2  0.0000  0.5000  0.0000  1
  Sc  Sc5  4  0.0759  0.5000  0.4355  1
]