data_[Sm4Zr8Sc24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6894]
_cell_length_b [13.2788]
_cell_length_c [5.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(ZrSc3)2]
_chemical_formula_sum '[Sm4 Zr8 Sc24]'
_cell_volume [902.2690]
_cell_formula_units_Z [4]
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  0.1169  0.7500  1
  Zr  Zr1  8  0.1342  0.4758  0.8721  1
  Sc  Sc2  8  0.0453  0.3181  0.5124  1
  Sc  Sc3  8  0.1470  0.0880  0.3247  1
  Sc  Sc4  8  0.2323  0.3025  0.2135  1
]