data_[Zr2As2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1715]
_cell_length_b [3.9803]
_cell_length_c [5.1346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrAsAu2]
_chemical_formula_sum '[Zr2 As2 Au4]'
_cell_volume [158.3811]
_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  0.0368  0.5000  0.5743  1
  As  As1  2  0.2675  0.0000  0.6508  1
  Au  Au2  2  0.2335  0.5000  0.2344  1
  Au  Au3  2  0.4623  0.5000  0.0405  1
]