data_BeVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.74
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   98.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVAu2
_chemical_formula_sum   'Be1 V1 Au2'
_cell_volume   59.41
_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  0.0  1.0
  V  V3  1  0.56  0.0  0.83  1.0
  Au  Au0  1  0.97  0.87  0.31  1.0
  Au  Au1  1  0.95  0.87  0.35  1.0

data_BeVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.74
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   98.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVAu2
_chemical_formula_sum   'Be1 V1 Au2'
_cell_volume   59.41
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.56  0.0  0.83  1.0
  Au  Au2  1  0.95  0.87  0.35  1.0
  Au  Au3  1  0.97  0.87  0.31  1.0

Be V Au Au
Be V Au Au 0 1 - o - 2 3 o o o 