data_[Sm2Er6Sc2]
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 [6.1855]
_cell_length_b [5.5290]
_cell_length_c [9.4414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmEr3Sc]
_chemical_formula_sum '[Sm2 Er6 Sc2]'
_cell_volume [305.2460]
_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  0.0691  0.2500  0.7985  1.0
  Er  Er1  2  0.1402  0.7500  0.5955  1.0
  Er  Er2  2  0.2731  0.2500  0.2086  1.0
  Er  Er3  2  0.3354  0.7500  0.0034  1.0
  Sc  Sc4  2  0.4643  0.2500  0.5954  1.0
]