data_[Sm2Er10Sc2]
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 [P2_1/m]
_cell_length_a [9.1197]
_cell_length_b [3.5389]
_cell_length_c [13.5639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmEr5Sc]
_chemical_formula_sum '[Sm2 Er10 Sc2]'
_cell_volume [427.6397]
_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  0.1128  0.2500  0.1361  1
  Er  Er1  2  0.0059  0.7500  0.3701  1
  Er  Er2  2  0.2031  0.2500  0.8845  1
  Er  Er3  2  0.3278  0.2500  0.5071  1
  Er  Er4  2  0.3495  0.7500  0.7218  1
  Er  Er5  2  0.4185  0.7500  0.0829  1
  Sc  Sc6  2  0.3516  0.7500  0.3081  1
]