data_[Sm48Er8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.1413]
_cell_length_b [11.4308]
_cell_length_c [24.5863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Sm12Er2Sc]
_chemical_formula_sum '[Sm48 Er8 Sc4]'
_cell_volume [2006.9903]
_cell_formula_units_Z [4]
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  8  0.0000  0.0010  0.9276  1
  Sm  Sm1  8  0.0000  0.0232  0.4393  1
  Sm  Sm2  8  0.2320  0.2500  0.5873  1
  Sm  Sm3  8  0.2491  0.2500  0.1250  1
  Sm  Sm4  8  0.2500  0.0000  0.1968  1
  Sm  Sm5  8  0.2500  0.0000  0.3235  1
  Er  Er6  4  0.0000  0.2500  0.2677  1
  Er  Er7  4  0.0000  0.2500  0.7364  1
  Sc  Sc8  4  0.0000  0.2500  0.0003  1
]