data_[Sm12Sc2Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5333]
_cell_length_b [3.6377]
_cell_length_c [11.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6ScZn2]
_chemical_formula_sum '[Sm12 Sc2 Zn4]'
_cell_volume [509.1067]
_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  0.0297  0.0000  0.3244  1
  Sm  Sm1  4  0.1863  0.5000  0.8781  1
  Sm  Sm2  4  0.1877  0.5000  0.5936  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  4  0.1385  0.5000  0.1823  1
]