data_[Ga3Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8914]
_cell_length_b [3.1017]
_cell_length_c [8.4165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ga3Ag]
_chemical_formula_sum '[Ga3 Ag1]'
_cell_volume [75.4805]
_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
[
  Ga  Ga0  1  0.0000  0.5000  0.2997  1.0
  Ga  Ga1  1  0.5000  0.0000  0.5345  1.0
  Ga  Ga2  1  0.5000  0.5000  0.8023  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0302  1.0
]