data_[Ga4Sn4Au10]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1064]
_cell_length_b [4.5727]
_cell_length_c [8.5960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Sn2Au5]
_chemical_formula_sum '[Ga4 Sn4 Au10]'
_cell_volume [407.2560]
_cell_formula_units_Z [2]
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  4  0.1255  0.0000  0.4000  1.0
  Sn  Sn1  4  0.1297  0.5000  0.9123  1.0
  Au  Au2  4  0.1151  0.0000  0.7004  1.0
  Au  Au3  4  0.1435  0.5000  0.2606  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]