data_[Sm4Mg4Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3666]
_cell_length_b [15.1542]
_cell_length_c [6.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmMgSc3]
_chemical_formula_sum '[Sm4 Mg4 Sc12]'
_cell_volume [535.0425]
_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  0.1136  0.7500  1
  Mg  Mg1  4  0.0000  0.4923  0.7500  1
  Sc  Sc2  8  0.0000  0.3089  0.5019  1
  Sc  Sc3  4  0.0000  0.1302  0.2500  1
]