data_[Mg14Sc8Ag2]
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 [C2/m]
_cell_length_a [10.7488]
_cell_length_b [5.2274]
_cell_length_c [11.3390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7Sc4Ag]
_chemical_formula_sum '[Mg14 Sc8 Ag2]'
_cell_volume [573.8828]
_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  4  0.1420  0.0000  0.5243  1
  Mg  Mg1  4  0.2110  0.0000  0.3009  1
  Mg  Mg2  4  0.2226  0.5000  0.9204  1
  Mg  Mg3  2  0.0000  0.5000  0.0000  1
  Sc  Sc4  4  0.0373  0.5000  0.3689  1
  Sc  Sc5  4  0.1222  0.0000  0.7787  1
  Ag  Ag6  2  0.0000  0.0000  0.0000  1
]