data_[Sm6Er8Sc2]
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 [Pmn2_1]
_cell_length_a [11.2263]
_cell_length_b [7.2183]
_cell_length_c [6.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3Er4Sc]
_chemical_formula_sum '[Sm6 Er8 Sc2]'
_cell_volume [504.4318]
_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  4  0.2498  0.3760  0.4791  1.0
  Sm  Sm1  2  0.0000  0.6261  0.6476  1.0
  Er  Er2  4  0.2450  0.1246  0.9840  1.0
  Er  Er3  2  0.0000  0.1232  0.6460  1.0
  Er  Er4  2  0.0000  0.8756  0.1505  1.0
  Sc  Sc5  2  0.0000  0.3712  0.1450  1.0
]