data_[Lu10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4536]
_cell_length_b [14.7734]
_cell_length_c [4.7787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Lu5Au]
_chemical_formula_sum '[Lu10 Au2]'
_cell_volume [314.4089]
_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  4  0.0000  0.1702  0.5000  1
  Lu  Lu1  4  0.0000  0.3424  0.0000  1
  Lu  Lu2  2  0.0000  0.5000  0.5000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]