data_[Ba5In1Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1369]
_cell_length_b [4.1369]
_cell_length_c [20.9657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba5InAg4]
_chemical_formula_sum '[Ba5 In1 Ag4]'
_cell_volume [358.8042]
_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
[
  Ba  Ba0  2  0.5000  0.5000  0.1063  1.0
  Ba  Ba1  2  0.5000  0.5000  0.3041  1.0
  Ba  Ba2  1  0.5000  0.5000  0.5000  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.2054  1.0
  Ag  Ag5  2  0.0000  0.0000  0.4019  1.0
]