data_[La16Dy2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3531]
_cell_length_b [5.1675]
_cell_length_c [8.1529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8DySc2]
_chemical_formula_sum '[La16 Dy2 Sc4]'
_cell_volume [743.1302]
_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  0.0487  0.0000  0.7267  1
  La  La1  4  0.0960  0.5000  0.4582  1
  La  La2  4  0.1407  0.0000  0.1960  1
  La  La3  4  0.1833  0.5000  0.9158  1
  Dy  Dy4  2  0.0000  0.5000  0.0000  1
  Sc  Sc5  4  0.2272  0.0000  0.6316  1
]