data_[Sm28Er12Sc4]
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 [C2/m]
_cell_length_a [6.9903]
_cell_length_b [18.3331]
_cell_length_c [11.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm7Er3Sc]
_chemical_formula_sum '[Sm28 Er12 Sc4]'
_cell_volume [1441.8943]
_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  0.2410  0.0864  0.2512  1
  Sm  Sm1  8  0.2463  0.1606  0.5301  1
  Sm  Sm2  8  0.2497  0.3394  0.0286  1
  Sm  Sm3  4  0.2366  0.5000  0.2486  1
  Er  Er4  8  0.0022  0.2528  0.7505  1
  Er  Er5  2  0.0000  0.0000  0.0000  1
  Er  Er6  2  0.0000  0.5000  0.5000  1
  Sc  Sc7  2  0.0000  0.0000  0.5000  1
  Sc  Sc8  2  0.0000  0.5000  0.0000  1
]