data_ZrAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97
_cell_length_b   8.97
_cell_length_c   8.97
_cell_angle_alpha   20.64
_cell_angle_beta   20.64
_cell_angle_gamma   20.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Au
_chemical_formula_sum   'Zr1 As2 Au1'
_cell_volume   78.41
_cell_formula_units_Z   1
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  Zr3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.6  1.0
  As  As1  1  0.0  0.0  0.72  1.0
  Au  Au2  1  0.0  0.0  0.16  1.0

data_ZrAs2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAs2Au
_chemical_formula_sum   'Zr2 As4 Au2'
_cell_volume   156.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.28  1.0
  As  As2  2  0.0  0.0  0.4  1.0
  Au  Au3  2  0.0  0.0  0.84  1.0

Zr As As Au