data_[Ba4Ag4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1213]
_cell_length_b [8.2628]
_cell_length_c [8.7770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaAgSn]
_chemical_formula_sum '[Ba4 Ag4 Sn4]'
_cell_volume [371.4077]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.3879  1.0
  Ba  Ba1  2  0.0000  0.5000  0.3118  1.0
  Ag  Ag2  4  0.0000  0.2136  0.0139  1.0
  Sn  Sn3  4  0.0000  0.3094  0.6811  1.0
]