data_[Sc16Cu2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [16.2073]
_cell_length_b [4.8564]
_cell_length_c [6.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8CuAg2]
_chemical_formula_sum '[Sc16 Cu2 Ag4]'
_cell_volume [481.6740]
_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
[
  Sc  Sc0  4  0.0257  0.0000  0.7858  1.0
  Sc  Sc1  4  0.0943  0.5000  0.4443  1.0
  Sc  Sc2  4  0.1623  0.5000  0.9627  1.0
  Sc  Sc3  4  0.1955  0.0000  0.2931  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1835  0.0000  0.7057  1.0
]