data_Zr2RhAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.01
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   35.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhAu
_chemical_formula_sum   'Zr2 Rh1 Au1'
_cell_volume   76.65
_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  Zr2  1  0.8  0.0  0.67  1.0
  Zr  Zr3  1  0.18  0.0  0.45  1.0
  Rh  Rh1  1  0.66  0.0  0.83  1.0
  Au  Au0  1  0.52  0.0  0.33  1.0

data_Zr2RhAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.01
_cell_length_c   5.16
_cell_angle_alpha   100.58
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhAu
_chemical_formula_sum   'Zr2 Rh1 Au1'
_cell_volume   76.65
_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  Zr0  1  0.0  0.45  0.18  1.0
  Zr  Zr1  1  0.0  0.67  0.8  1.0
  Rh  Rh2  1  0.0  0.83  0.66  1.0
  Au  Au3  1  0.0  0.33  0.52  1.0

Zr Zr Rh Au
Zr Zr Rh Au 0 2 o o o 0 3 o o o 1 3 o o o 