data_[Sm8Tm2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [9.8668]
_cell_length_b [6.9514]
_cell_length_c [6.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Sm4TmSc3]
_chemical_formula_sum '[Sm8 Tm2 Sc6]'
_cell_volume [474.6316]
_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  0.2500  0.2466  0.7500  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc4  4  0.2500  0.2481  0.2500  1.0
  Sc  Sc5  2  0.0000  0.0000  0.5000  1.0
]