data_[Y6Ga14Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1167]
_cell_length_b [4.3832]
_cell_length_c [9.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Ga7Au4]
_chemical_formula_sum '[Y6 Ga14 Au8]'
_cell_volume [548.8541]
_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
[
  Y  Y0  4  0.1890  0.5000  0.1910  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0045  0.5000  0.8028  1
  Ga  Ga3  4  0.1488  0.0000  0.3698  1
  Ga  Ga4  4  0.1699  0.5000  0.8002  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1362  0.0000  0.9081  1
  Au  Au7  4  0.1518  0.5000  0.5216  1
]