data_[Sm2Y12Er4Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [6.0654]
_cell_length_b [10.4993]
_cell_length_c [11.5128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY6Er2Sc3]
_chemical_formula_sum '[Sm2 Y12 Er4 Sc6]'
_cell_volume [721.7988]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.2468  0.3332  0.7410  1
  Y  Y2  4  0.2475  0.0000  0.7409  1
  Er  Er3  4  0.0000  0.3334  0.0000  1
  Sc  Sc4  4  0.0000  0.1669  0.5000  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]