data_[Zr4Rh2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8448]
_cell_length_b [3.1854]
_cell_length_c [4.9869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr2RhAu]
_chemical_formula_sum '[Zr4 Rh2 Au2]'
_cell_volume [153.3413]
_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
[
  Zr  Zr0  2  0.2597  0.5000  0.2956  1
  Zr  Zr1  2  0.4888  0.5000  0.9520  1
  Rh  Rh2  2  0.2449  0.0000  0.7793  1
  Au  Au3  2  0.0066  0.5000  0.4731  1
]