data_[Mg3Sc12Cu6Ag3]
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
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7877]
_cell_length_b [4.7877]
_cell_length_c [23.6389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MgSc4Cu2Ag]
_chemical_formula_sum '[Mg3 Sc12 Cu6 Ag3]'
_cell_volume [469.2526]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  6  0.0000  0.0000  0.1272  1.0
  Sc  Sc2  6  0.0000  0.0000  0.3786  1.0
  Cu  Cu3  6  0.0000  0.0000  0.2585  1.0
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1.0
]