data_[In1Ga6Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2095]
_cell_length_b [5.8663]
_cell_length_c [8.4858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [InGa6Ag]
_chemical_formula_sum '[In1 Ga6 Ag1]'
_cell_volume [159.7690]
_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  1  0.0000  0.0000  0.3747  1
  Ga  Ga1  2  0.0000  0.2603  0.8618  1
  Ga  Ga2  2  0.5000  0.2576  0.1239  1
  Ga  Ga3  1  0.0000  0.5000  0.3601  1
  Ga  Ga4  1  0.5000  0.0000  0.6639  1
  Ag  Ag5  1  0.5000  0.5000  0.6298  1
]