data_BeV2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   3.9
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Pd
_chemical_formula_sum   'Be1 V2 Pd1'
_cell_volume   50.77
_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  V2  1  0.31  0.95  0.82  1.0
  V  V3  1  0.31  0.95  0.15  1.0
  Pd  Pd1  1  0.0  0.0  0.49  1.0

data_BeV2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.9
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Pd
_chemical_formula_sum   'Be1 V2 Pd1'
_cell_volume   50.77
_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  0.31  0.95  0.15  1.0
  V  V2  1  0.31  0.95  0.82  1.0
  Pd  Pd3  1  0.0  0.0  0.49  1.0

Be V V Pd
Be V V Pd 0 1 o - - 0 2 o - o 1 3 o + o 2 3 o + o 