data_Be2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ReAu
_chemical_formula_sum   'Be2 Re1 Au1'
_cell_volume   48.33
_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
  Be  Be1  1  0.0  0.0  0.86  1.0
  Be  Be2  1  0.97  0.0  0.8  1.0
  Re  Re3  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.97  0.0  0.23  1.0

data_Be2ReAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Be2ReAu
_chemical_formula_sum   'Be2 Re1 Au1'
_cell_volume   48.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Be  Be0  1  0.0  0.0  0.86  1.0
  Be  Be1  1  0.97  0.0  0.8  1.0
  Re  Re2  1  0.0  0.0  0.37  1.0
  Au  Au3  1  0.97  0.0  0.23  1.0

Be Be Re Au