data_[Y4Ag4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.8329]
_cell_length_b [6.2365]
_cell_length_c [6.2083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YAgSn3]
_chemical_formula_sum '[Y4 Ag4 Sn12]'
_cell_volume [496.8629]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.3090  0.5078  0.7500  1
  Ag  Ag1  4  0.1125  0.7500  0.0000  1
  Sn  Sn2  4  0.0751  0.1510  0.2500  1
  Sn  Sn3  4  0.2615  0.0110  0.7500  1
  Sn  Sn4  4  0.4990  0.2500  0.0000  1
]