data_[Sm4Er4Tm2Sc2]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.5758]
_cell_length_b [10.7627]
_cell_length_c [6.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sm2Er2TmSc]
_chemical_formula_sum '[Sm4 Er4 Tm2 Sc2]'
_cell_volume [372.4239]
_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  0.0000  0.2575  0.3431  1.0
  Sm  Sm1  2  0.5000  0.0834  0.1749  1.0
  Er  Er2  2  0.0000  0.0882  0.8398  1.0
  Er  Er3  2  0.5000  0.4221  0.1678  1.0
  Tm  Tm4  2  0.5000  0.2562  0.6797  1.0
  Sc  Sc5  2  0.0000  0.4195  0.8402  1.0
]