data_BeVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.91
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   95.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVRu2
_chemical_formula_sum   'Be1 V1 Ru2'
_cell_volume   50.85
_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  V3  1  0.1  0.0  0.45  1.0
  Ru  Ru1  1  0.91  0.96  0.14  1.0
  Ru  Ru2  1  0.29  0.96  0.75  1.0

data_BeVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.91
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   95.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVRu2
_chemical_formula_sum   'Be1 V1 Ru2'
_cell_volume   50.85
_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  0.1  0.0  0.45  1.0
  Ru  Ru2  1  0.29  0.96  0.75  1.0
  Ru  Ru3  1  0.91  0.96  0.14  1.0

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