data_[Lu2Sn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7248]
_cell_length_b [4.6073]
_cell_length_c [11.2717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Lu(SnAu)2]
_chemical_formula_sum '[Lu2 Sn4 Au4]'
_cell_volume [241.6697]
_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
[
  Lu  Lu0  2  0.1857  0.2500  0.8300  1.0
  Sn  Sn1  2  0.2918  0.2500  0.5329  1.0
  Sn  Sn2  2  0.3089  0.2500  0.1745  1.0
  Au  Au3  2  0.1440  0.7500  0.6690  1.0
  Au  Au4  2  0.2610  0.7500  0.0189  1.0
]