data_[In9Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.8940]
_cell_length_b [7.8940]
_cell_length_c [19.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In9Ag4]
_chemical_formula_sum '[In9 Ag4]'
_cell_volume [1067.0877]
_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
[
  In  In0  6  0.2057  0.4143  0.5839  1
  In  In1  3  0.0000  0.5715  0.4324  1
  Ag  Ag2  3  0.0000  0.2200  0.4522  1
  Ag  Ag3  1  0.0000  0.0000  0.3425  1
]