data_[Sm4Tm6Sc4]
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 [Cmmm]
_cell_length_a [5.1599]
_cell_length_b [23.2178]
_cell_length_c [3.4509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm2Tm3Sc2]
_chemical_formula_sum '[Sm4 Tm6 Sc4]'
_cell_volume [413.4182]
_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  0.0000  0.4240  0.5000  1
  Tm  Tm1  4  0.0000  0.1571  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.2833  0.5000  1
]