data_[Mg12Sc6Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7561]
_cell_length_b [4.9422]
_cell_length_c [10.5988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6Sc3Ag]
_chemical_formula_sum '[Mg12 Sc6 Ag2]'
_cell_volume [443.7506]
_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
[
  Mg  Mg0  2  0.0495  0.7500  0.8835  1
  Mg  Mg1  2  0.1370  0.2500  0.6825  1
  Mg  Mg2  2  0.1442  0.7500  0.1826  1
  Mg  Mg3  2  0.2247  0.7500  0.4909  1
  Mg  Mg4  2  0.3231  0.2500  0.2973  1
  Mg  Mg5  2  0.4407  0.7500  0.0960  1
  Sc  Sc6  2  0.2534  0.2500  0.9909  1
  Sc  Sc7  2  0.3625  0.7500  0.7946  1
  Sc  Sc8  2  0.4594  0.2500  0.6005  1
  Ag  Ag9  2  0.0465  0.2500  0.3978  1
]