data_[La6Y12Er4Sc2]
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
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2073]
_cell_length_b [10.7541]
_cell_length_c [11.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Y6Er2Sc]
_chemical_formula_sum '[La6 Y12 Er4 Sc2]'
_cell_volume [777.6468]
_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  0.1665  0.5000  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Y  Y2  8  0.2453  0.1654  0.2414  1
  Y  Y3  4  0.2491  0.5000  0.2414  1
  Er  Er4  4  0.0000  0.3335  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]