data_Be2VAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   18.67
_cell_angle_beta   18.67
_cell_angle_gamma   18.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VAu
_chemical_formula_sum   'Be2 V1 Au1'
_cell_volume   51.67
_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  0.37  1.0
  Be  Be2  1  0.0  0.0  0.28  1.0
  V  V3  1  0.0  0.0  0.45  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0

data_Be2VAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2VAu
_chemical_formula_sum   'Be4 V2 Au2'
_cell_volume   103.35
_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
  Be  Be0  2  0.0  0.0  0.63  1.0
  Be  Be1  2  0.0  0.0  0.72  1.0
  V  V2  2  0.0  0.0  0.55  1.0
  Au  Au3  2  0.0  0.0  0.76  1.0

Be Be V Au