data_ReAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.37
_cell_angle_alpha   99.89
_cell_angle_beta   99.89
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Au
_chemical_formula_sum   'Re1 As2 Au1'
_cell_volume   71.87
_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
  Re  Re3  1  0.31  0.0  0.28  1.0
  As  As0  1  0.34  0.0  0.05  1.0
  As  As1  1  0.47  0.0  0.35  1.0
  Au  Au2  1  0.02  0.0  0.06  1.0

data_ReAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.37
_cell_length_c   5.46
_cell_angle_alpha   99.89
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Au
_chemical_formula_sum   'Re1 As2 Au1'
_cell_volume   71.87
_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
  Re  Re0  1  0.0  0.28  0.31  1.0
  As  As1  1  0.0  0.05  0.34  1.0
  As  As2  1  0.0  0.35  0.47  1.0
  Au  Au3  1  0.0  0.06  0.02  1.0

Re As As Au
Re As As Au 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 