data_[Sc2Cd3Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1592]
_cell_length_b [4.8523]
_cell_length_c [8.3740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc2Cd3Ag]
_chemical_formula_sum '[Sc2 Cd3 Ag1]'
_cell_volume [128.3682]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4905  1.0
  Sc  Sc1  1  0.0000  0.5000  0.0113  1.0
  Cd  Cd2  1  0.5000  0.0000  0.1688  1.0
  Cd  Cd3  1  0.5000  0.0000  0.8324  1.0
  Cd  Cd4  1  0.5000  0.5000  0.6642  1.0
  Ag  Ag5  1  0.5000  0.5000  0.3327  1.0
]