data_[Sr2Sc4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [6.3576]
_cell_length_b [11.5909]
_cell_length_c [3.3364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSc2Ag]
_chemical_formula_sum '[Sr2 Sc4 Ag2]'
_cell_volume [216.3076]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.5000  1
  Sc  Sc1  4  0.2500  0.2500  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
]