data_BeCrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   32.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrAu2
_chemical_formula_sum   'Be1 Cr1 Au2'
_cell_volume   62.11
_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  Be2  1  0.0  0.0  0.89  1.0
  Cr  Cr3  1  0.89  0.0  0.56  1.0
  Au  Au0  1  0.0  0.0  0.62  1.0
  Au  Au1  1  0.89  0.0  0.55  1.0

data_BeCrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.79
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrAu2
_chemical_formula_sum   'Be1 Cr1 Au2'
_cell_volume   62.11
_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  Be0  1  0.11  0.0  0.11  1.0
  Cr  Cr1  1  0.44  0.89  0.44  1.0
  Au  Au2  1  0.38  0.0  0.38  1.0
  Au  Au3  1  0.45  0.89  0.45  1.0

Be Cr Au Au