data_[Y10Mg12Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3373]
_cell_length_b [16.0345]
_cell_length_c [7.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y5Mg6Sc]
_chemical_formula_sum '[Y10 Mg12 Sc2]'
_cell_volume [643.0412]
_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
[
  Y  Y0  4  0.0000  0.3307  0.5000  1
  Y  Y1  4  0.0000  0.3338  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  8  0.0000  0.1628  0.2438  1
  Mg  Mg4  4  0.0000  0.5000  0.2426  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]