data_[Ga5Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9586]
_cell_length_b [15.0000]
_cell_length_c [13.7694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ga5Sn4]
_chemical_formula_sum '[Ga5 Sn4]'
_cell_volume [1013.6265]
_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  2  0.1720  0.5000  0.3276  1
  Ga  Ga1  2  0.3934  0.5000  0.7780  1
  Ga  Ga2  1  0.5000  0.5000  0.0000  1
  Sn  Sn3  2  0.0564  0.5000  0.1143  1
  Sn  Sn4  2  0.2770  0.5000  0.5626  1
]